A0A077ZBG5_TRITR Loading...

Methionine aminopeptidase 2

Cotranslationally removes the N-terminal methionine from nascent proteins. The N-terminal methionine is often cleaved when the second residue in the primary sequence is small and uncharged (Met-Ala-, Cys, Gly, Pro, Ser, Thr, or Val).

AlphaFold DB , UniProt , Accession A0A077ZBG5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 381 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45	Very low	38.4	Very low	243 Å²	243	154.4 Å²	154.4	100%	1.197	89%	0.885	S	S	*	*				0	90	0	-69.6	179.2	-171.8	0	0	108.4
2	S	40.6	Very low	37.8	Very low	126 Å²	126	158.6 Å²	158.6	88%	0.881	89%	0.885	S	S	*	*			trans	-154.1	107.1	165.9	-75.6	0	0	0	0	107.9
3	A	36.3	Very low	37.4	Very low	95 Å²	95	154.2 Å²	154.2	79%	0.785	87%	0.871	S	S	*	*			trans	-70.1	140.1	170.9	0	0	0	0	0	109.6
4	N	43.7	Very low	36.9	Very low	167 Å²	167	152.4 Å²	152.4	89%	0.893	87%	0.874	S	S	*	*			trans	-139.5	125	151.3	-121.3	-8.6	0	0	0	110.2
5	K	39.8	Very low	36.7	Very low	196 Å²	196	152.6 Å²	152.6	85%	0.852	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-73.2	130.4	-169.7	-70.2	164	170.1	176.4	0	110.2
6	Q	41.9	Very low	36.4	Very low	183 Å²	183	148.4 Å²	148.4	86%	0.855	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-80.9	137.3	158.5	-78.5	-177.7	-19.3	0	0	109.2
7	P	40.3	Very low	36.2	Very low	126 Å²	126	146.5 Å²	146.5	82%	0.818	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-75.8	131.2	178.7	28.9	-31.2	0	0	0	111.1	A9	P7-A9 PolarHBondContact O-N 3.33Å
8	H	35.5	Very low	36.4	Very low	184 Å²	184	146.5 Å²	146.5	85%	0.852	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-60.8	117.9	169	-88.3	-70.7	0	0	0	110.5	Q10	H8-Q10 PolarHBondContact O-N 2.67Å; H8-Q10 VanDerWaalsContact O-N 3.14Å
9	A	37.6	Very low	36.9	Very low	104 Å²	104	144.5 Å²	144.5	86%	0.86	83%	0.833	S	S	*	*			trans	-70.2	101	162.7	0	0	0	0	0	109.1	P7	P7-A9 PolarHBondContact O-N 3.33Å
10	Q	31.1	Very low	37.8	Very low	193 Å²	193	144 Å²	144	90%	0.902	82%	0.821	S	S	*	*			trans	-85.5	128.2	163.2	-76.7	177.8	-21.9	0	0	108.6	H8	H8-Q10 PolarHBondContact O-N 2.67Å; H8-Q10 VanDerWaalsContact O-N 3.14Å
11	G	30.7	Very low	38.6	Very low	81 Å²	81	142.6 Å²	142.6	84%	0.835	81%	0.811	S	S	*	*			trans	143.1	54.4	171.2	0	0	0	0	0	114.4
12	K	30.8	Very low	39.3	Very low	205 Å²	205	136.8 Å²	136.8	89%	0.891	78%	0.781	S	S	*	*			trans	-116	119.8	163.6	-84.1	-171.5	175.5	-176.3	0	110.5
13	S	32.8	Very low	40.4	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	77%	0.768	S	S	*	*			trans	53.1	100.6	157.4	69.3	0	0	0	0	119.5	L15	S13-L15 PolarHBondContact O-N 3.34Å
14	S	30.7	Very low	42.8	Very low	129 Å²	129	134 Å²	134	90%	0.902	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	35	164.6	56.8	0	0	0	0	113.9
15	L	34.5	Very low	45.2	Very low	156 Å²	156	131 Å²	131	82%	0.817	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	5.9	177.4	-90.1	148.5	0	0	0	114.2	S13	S13-L15 PolarHBondContact O-N 3.34Å
16	A	31.5	Very low	48	Very low	86 Å²	86	122.6 Å²	122.6	71%	0.711	69%	0.693	S	S	*	*	S	Bend	trans	-104.6	87.9	178.4	0	0	0	0	0	111.1
17	S	33.3	Very low	50.6	Low	116 Å²	116	113.9 Å²	113.9	81%	0.811	65%	0.653	S	S	*	*			trans	155.8	46.4	150.3	56.8	0	0	0	0	112.3	N19	S17-N19 PolarHBondContact O-N 3.39Å
18	Q	39.4	Very low	53.4	Low	146 Å²	146	109.6 Å²	109.6	68%	0.682	62%	0.623	S	S	*	*			trans	-71	120.4	158.2	-75.2	-171.6	-8.1	0	0	107.8	K20	Q18-K20 PolarHBondContact O-N 2.86Å
19	N	45.5	Very low	56.3	Low	108 Å²	108	104.9 Å²	104.9	58%	0.578	60%	0.602	S	S	*	*			trans	-54	124.5	179.2	-159.8	0.4	0	0	0	108.7	S17 D21 Q22	S17-N19 PolarHBondContact O-N 3.39Å; N19-D21 PolarHBondContact O-N 3.41Å; N19-Q22 HydrophobicContact CB-CB 4.48Å; N19-Q22 HydrophobicContact CB-CG 4.15Å; N19-Q22 PolarHBondContact O-N 2.68Å
20	K	54.7	Low	59.2	Low	135 Å²	135	102.9 Å²	102.9	59%	0.587	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-18.9	-170.4	-66.9	-177.6	-178.5	-175.6	0	113.6	Q18 T88	Q18-K20 PolarHBondContact O-N 2.86Å; K20-T88 HydrophobicContact CD-CG2 4.12Å
21	D	55.5	Low	62.4	Low	114 Å²	114	96 Å²	96	61%	0.61	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-1	177.2	-68.7	-40.2	0	0	0	114.7	N19	N19-D21 PolarHBondContact O-N 3.41Å
22	Q	58.6	Low	65.5	Low	121 Å²	121	97.8 Å²	97.8	57%	0.565	54%	0.538	S	S	*	.	S	Bend	trans	-72.7	136.5	177.2	-93	-174.6	-4.1	0	0	111.8	N19 K24	N19-Q22 HydrophobicContact CB-CB 4.48Å; N19-Q22 HydrophobicContact CB-CG 4.15Å; N19-Q22 PolarHBondContact O-N 2.68Å; Q22-K24 PolarHBondContact O-N 2.97Å; Q22-K24 VanDerWaalsContact O-N 3.07Å
23	P	64.8	Low	68.6	Low	94 Å²	94	92.8 Å²	92.8	61%	0.61	52%	0.521	S	S	*	.			trans	-54.8	114.4	172	-25.4	34.7	0	0	0	111.1	R109	P23-R109 VanDerWaalsContact CB-NH1 3.29Å
24	K	85.3	Confident	71.6	Confident	68 Å²	68	88.9 Å²	88.9	30%	0.296	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-71	143.7	163.8	-73.3	-166	179	-174.3	0	109	Q22 L110	Q22-K24 PolarHBondContact O-N 2.97Å; Q22-K24 VanDerWaalsContact O-N 3.07Å; K24-L110 HydrophobicContact CB-CD2 3.79Å
25	L	94.8	Very high	74.7	Confident	104 Å²	104	86.8 Å²	86.8	55%	0.545	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-59.1	153.4	168.7	-66.9	173.9	0	0	0	109.8	E29 Q30 L110	L25-E29 HydrophobicContact CB-CB 4.27Å; L25-Q30 HydrophobicContact CB-CG 4.13Å; L25-Q30 PolarHBondContact O-NE2 3.23Å; L25-L110 WeakPolarHBondContact O-CD2 3.41Å
26	P	97.9	Very high	77.7	Confident	20 Å²	20	80.9 Å²	80.9	13%	0.13	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-50.2	148.6	167	-28.8	37.7	0	0	0	112.9	D28 E29 Q30 L110 K112	P26-D28 VanDerWaalsContact C-N 3.3Å; P26-D28 WeakPolarHBondContact CB-OD1 3.43Å; P26-D28 PolarHBondContact O-N 3.33Å; P26-E29 HydrophobicContact CB-CG 4.32Å; P26-E29 WeakPolarHBondContact O-CB 3.09Å; P26-E29 PolarHBondContact O-N 2.85Å; P26-Q30 WeakPolarHBondContact O-CG 3.29Å; P26-Q30 PolarHBondContact O-N 3.36Å; P26-L110 WeakPolarHBondContact CA-O 3.5Å; P26-K112 HydrophobicContact CB-CB 4.11Å; P26-K112 HydrophobicContact CB-CD 4.3Å; P26-K112 HydrophobicContact CG-CB 4.49Å
27	V	98.2	Very high	80.9	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-63.2	-35	-174.3	169.9	0	0	0	0	112.2	E29 Q30 F31 Y36 R74 E77 V78 L110	V27-E29 PolarHBondContact O-N 2.64Å; V27-Q30 PolarHBondContact O-N 3.29Å; V27-F31 HydrophobicContact CG1-CD2 4.04Å; V27-F31 HydrophobicContact CG1-CE2 4.33Å; V27-F31 WeakPolarHBondContact O-CD2 3.33Å; V27-F31 PolarHBondContact O-N 3.16Å; V27-Y36 HydrophobicContact CG1-CD1 3.95Å; V27-Y36 HydrophobicContact CG1-CE1 4.07Å; V27-R74 HydrophobicContact CG1-CG 4.05Å; V27-E77 HydrophobicContact CG1-CB 3.93Å; V27-E77 HydrophobicContact CG1-CG 3.8Å; V27-E77 HydrophobicContact CG2-CG 4.24Å; V27-V78 HydrophobicContact CB-CG2 3.82Å; V27-V78 HydrophobicContact CG1-CG2 4.42Å; V27-V78 HydrophobicContact CG2-CB 4.32Å; V27-V78 HydrophobicContact CG2-CG2 3.48Å; V27-V78 VanDerWaalsContact CG2-CG2 3.48Å; V27-L110 PolarHBondContact N-O 2.82Å
28	D	97.5	Very high	84	Confident	37 Å²	37	78 Å²	78	20%	0.198	41%	0.408	C	S	.	.	H	α-helix	trans	-63	-28.1	173.6	60	-38.5	0	0	0	113	P26 F31 R74 K112	P26-D28 VanDerWaalsContact C-N 3.3Å; P26-D28 WeakPolarHBondContact CB-OD1 3.43Å; P26-D28 PolarHBondContact O-N 3.33Å; D28-F31 CarbonylContact O-C 3.42Å; D28-R74 IonicContact OD1-NH2 2.73Å; D28-R74 IonicContact OD2-NH2 3.8Å; D28-K112 VanDerWaalsContact OD2-CD 3.26Å; D28-K112 WeakPolarHBondContact OD2-CD 3.31Å; D28-K112 IonicContact OD2-NZ 3.45Å; D28-K112 PolarHBondContact OD2-NZ 3Å
29	E	97.8	Very high	86.8	Confident	85 Å²	85	71.7 Å²	71.7	40%	0.397	38%	0.382	S	S	.	.	H	α-helix	trans	-86.2	-22.8	178	-64.5	175.8	-157.6	0	0	112.5	L25 P26 V27 F31 K112	L25-E29 HydrophobicContact CB-CB 4.27Å; P26-E29 HydrophobicContact CB-CG 4.32Å; P26-E29 WeakPolarHBondContact O-CB 3.09Å; P26-E29 PolarHBondContact O-N 2.85Å; V27-E29 PolarHBondContact O-N 2.64Å; E29-F31 VanDerWaalsContact C-N 3.35Å; E29-K112 IonicContact OE1-NZ 3.63Å; E29-K112 PolarHBondContact OE1-NZ 3.27Å
30	Q	97.7	Very high	89.3	Confident	62 Å²	62	70.7 Å²	70.7	29%	0.29	37%	0.374	S	S	.	.	H	α-helix	trans	-72.7	-29.5	170.7	-63.4	178.8	42.4	0	0	112.1	L25 P26 V27 P32	L25-Q30 HydrophobicContact CB-CG 4.13Å; L25-Q30 PolarHBondContact O-NE2 3.23Å; P26-Q30 WeakPolarHBondContact O-CG 3.29Å; P26-Q30 PolarHBondContact O-N 3.36Å; V27-Q30 PolarHBondContact O-N 3.29Å; Q30-P32 VanDerWaalsContact C-CD 3.48Å; Q30-P32 WeakPolarHBondContact O-CD 3.46Å
31	F	97.6	Very high	91.4	Very high	49 Å²	49	68 Å²	68	22%	0.215	37%	0.369	C	S	.	.			trans	-122.3	69.8	-179.5	-60.2	-86.9	0	0	0	110.6	V27 D28 E29 D33 G34 N35 Y36 P37 E77	V27-F31 HydrophobicContact CG1-CD2 4.04Å; V27-F31 HydrophobicContact CG1-CE2 4.33Å; V27-F31 WeakPolarHBondContact O-CD2 3.33Å; V27-F31 PolarHBondContact O-N 3.16Å; D28-F31 CarbonylContact O-C 3.42Å; E29-F31 VanDerWaalsContact C-N 3.35Å; F31-D33 PolarHBondContact O-N 2.9Å; F31-D33 VanDerWaalsContact O-N 3.1Å; F31-G34 PolarHBondContact O-N 2.77Å; F31-N35 WeakPolarHBondContact CD1-O 3.45Å; F31-Y36 HydrophobicContact CB-CD1 3.88Å; F31-Y36 HydrophobicContact CB-CE1 3.95Å; F31-Y36 AromaticContact CD2-CD1 4Å; F31-Y36 HydrophobicContact CD2-CD1 4Å; F31-Y36 HydrophobicContact CD2-CE1 4.5Å; F31-Y36 HydrophobicContact CG-CD1 4.07Å; F31-P37 HydrophobicContact CE1-CG 3.75Å; F31-P37 HydrophobicContact CE2-CG 4.34Å; F31-P37 HydrophobicContact CZ-CG 3.54Å; F31-E77 HydrophobicContact CE2-CG 3.91Å; F31-E77 HydrophobicContact CZ-CG 4.49Å
32	P	96.4	Very high	93.4	Very high	117 Å²	117	64 Å²	64	76%	0.76	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.5	-172.4	27.7	-36.4	0	0	0	114.3	Q30 G34	Q30-P32 VanDerWaalsContact C-CD 3.48Å; Q30-P32 WeakPolarHBondContact O-CD 3.46Å; P32-G34 VanDerWaalsContact C-N 3.31Å
33	D	96.3	Very high	95.2	Very high	100 Å²	100	63.1 Å²	63.1	54%	0.535	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.2	173	66.7	-10.4	0	0	0	113.2	F31 N35	F31-D33 PolarHBondContact O-N 2.9Å; F31-D33 VanDerWaalsContact O-N 3.1Å; D33-N35 VanDerWaalsContact CG-ND2 3.3Å; D33-N35 PolarHBondContact O-N 2.82Å; D33-N35 PolarHBondContact OD1-N 2.92Å; D33-N35 WeakPolarHBondContact OD2-CB 3.32Å; D33-N35 PolarHBondContact OD2-ND2 3.25Å
34	G	95.3	Very high	96.7	Very high	19 Å²	19	59 Å²	59	20%	0.196	32%	0.321	C	S	.	.	S	Bend	trans	71.2	12.4	-176.6	0	0	0	0	0	114	F31 P32 Y36 K70	F31-G34 PolarHBondContact O-N 2.77Å; P32-G34 VanDerWaalsContact C-N 3.31Å; G34-Y36 WeakPolarHBondContact O-CD2 3.47Å; G34-Y36 PolarHBondContact O-N 2.75Å; G34-K70 WeakPolarHBondContact O-CD 3.43Å
35	N	95.7	Very high	97	Very high	85 Å²	85	58.4 Å²	58.4	46%	0.455	33%	0.325	S	S	.	.			trans	-95.5	82.3	177.5	-62.2	-40.2	0	0	0	109.8	F31 D33 K70	F31-N35 WeakPolarHBondContact CD1-O 3.45Å; D33-N35 VanDerWaalsContact CG-ND2 3.3Å; D33-N35 PolarHBondContact O-N 2.82Å; D33-N35 PolarHBondContact OD1-N 2.92Å; D33-N35 WeakPolarHBondContact OD2-CB 3.32Å; D33-N35 PolarHBondContact OD2-ND2 3.25Å; N35-K70 PolarHBondContact OD1-NZ 3.44Å
36	Y	98	Very high	96.8	Very high	33 Å²	33	57.2 Å²	57.2	13%	0.129	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-70.4	150.8	175.7	-51.2	-72.3	0	0	0	111.3	V27 F31 G34 L38 K70 R74	V27-Y36 HydrophobicContact CG1-CD1 3.95Å; V27-Y36 HydrophobicContact CG1-CE1 4.07Å; F31-Y36 HydrophobicContact CB-CD1 3.88Å; F31-Y36 HydrophobicContact CB-CE1 3.95Å; F31-Y36 AromaticContact CD2-CD1 4Å; F31-Y36 HydrophobicContact CD2-CD1 4Å; F31-Y36 HydrophobicContact CD2-CE1 4.5Å; F31-Y36 HydrophobicContact CG-CD1 4.07Å; G34-Y36 WeakPolarHBondContact O-CD2 3.47Å; G34-Y36 PolarHBondContact O-N 2.75Å; Y36-L38 PolarHBondContact O-N 3.36Å; Y36-K70 HydrophobicContact CD2-CB 4.2Å; Y36-K70 VanDerWaalsContact CD2-O 3.3Å; Y36-K70 WeakPolarHBondContact CD2-O 3.15Å; Y36-K70 HydrophobicContact CE2-CB 4.48Å; Y36-R74 HydrophobicContact CD1-CB 3.87Å; Y36-R74 HydrophobicContact CD1-CG 4.09Å; Y36-R74 HydrophobicContact CD2-CB 3.7Å; Y36-R74 HydrophobicContact CE1-CB 3.86Å; Y36-R74 HydrophobicContact CE1-CG 3.71Å; Y36-R74 HydrophobicContact CE2-CB 3.71Å; Y36-R74 HydrophobicContact CE2-CG 4.25Å; Y36-R74 HydrophobicContact CG-CB 3.78Å; Y36-R74 WeakPolarHBondContact OH-CD 3.46Å
37	P	97.8	Very high	96.6	Very high	43 Å²	43	61 Å²	61	28%	0.279	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-58.3	134.6	-179.9	-23.3	33.8	0	0	0	112.3	F31	F31-P37 HydrophobicContact CE1-CG 3.75Å; F31-P37 HydrophobicContact CE2-CG 4.34Å; F31-P37 HydrophobicContact CZ-CG 3.54Å
38	L	98.3	Very high	96.4	Very high	98 Å²	98	64.9 Å²	64.9	51%	0.513	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-59.8	148.7	166.5	-72.9	160.2	0	0	0	110.1	Y36 R73	Y36-L38 PolarHBondContact O-N 3.36Å; L38-R73 VanDerWaalsContact CD2-NE 3.34Å
39	G	98.6	Very high	96.2	Very high	13 Å²	13	63.7 Å²	63.7	13%	0.134	35%	0.352	C	S	.	.			trans	-71.8	-168.7	161	0	0	0	0	0	112.7	V41 E373 V374	G39-V41 PolarHBondContact O-N 3.11Å; G39-E373 PolarHBondContact N-OE1 3.14Å; G39-V374 WeakPolarHBondContact CA-O 3.22Å
40	E	98.8	Very high	96.1	Very high	88 Å²	88	60 Å²	60	41%	0.411	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	121.4	170.6	-178	-168.8	173.4	0	0	109.6	E373 V374 R377	E40-E373 CarbonylContact O-C 3.6Å; E40-E373 WeakPolarHBondContact O-CA 3.25Å; E40-V374 HydrophobicContact CB-CB 4.17Å; E40-V374 HydrophobicContact CB-CG2 4.49Å; E40-V374 PolarHBondContact N-O 3.06Å; E40-V374 PolarHBondContact O-N 3.16Å; E40-R377 HydrophobicContact CB-CB 3.92Å; E40-R377 HydrophobicContact CB-CG 3.93Å; E40-R377 IonicContact OE2-CZ 3.74Å; E40-R377 IonicContact OE2-NE 3.47Å; E40-R377 PolarHBondContact OE2-NE 3.1Å; E40-R377 IonicContact OE2-NH2 3.23Å
41	V	98.3	Very high	95.9	Very high	78 Å²	78	62.9 Å²	62.9	47%	0.473	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125	179.3	178.3	0	0	0	0	109.6	G39 C371 E373	G39-V41 PolarHBondContact O-N 3.11Å; V41-C371 HydrophobicContact CG1-CB 3.69Å; V41-E373 HydrophobicContact CG2-CG 4.46Å
42	C	97.9	Very high	95.8	Very high	29 Å²	29	64.9 Å²	64.9	20%	0.196	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.3	-178.7	-49.7	0	0	0	0	111	K372	C42-K372 HydrophobicContact CB-CB 4.4Å; C42-K372 PolarHBondContact N-O 3.19Å; C42-K372 PolarHBondContact O-N 3.41Å
43	D	96.7	Very high	95.6	Very high	104 Å²	104	59.5 Å²	59.5	56%	0.556	33%	0.327	S	S	*	.			trans	-64.9	154.8	159.7	-76.6	-26.1	0	0	0	110	R54	D43-R54 IonicContact OD2-NH2 3.1Å
44	Y	96.9	Very high	95.6	Very high	8 Å²	8	60.6 Å²	60.6	3%	0.031	32%	0.323	C	S	.	.			trans	-72.2	157.5	172.5	-70.1	-70.3	0	0	0	111.9	K46 V49 N50 I196 L367 R368 C371 K372	Y44-K46 VanDerWaalsContact C-N 3.28Å; Y44-K46 PolarHBondContact O-N 3.23Å; Y44-V49 HydrophobicContact CD2-CG1 3.53Å; Y44-V49 HydrophobicContact CE2-CG1 4.12Å; Y44-V49 HydrophobicContact CG-CG1 3.77Å; Y44-N50 WeakPolarHBondContact CA-OD1 3.27Å; Y44-N50 WeakPolarHBondContact CB-OD1 3.3Å; Y44-N50 PolarHBondContact N-OD1 3.14Å; Y44-N50 PolarHBondContact O-ND2 2.64Å; Y44-I196 HydrophobicContact CE1-CB 4.37Å; Y44-I196 HydrophobicContact CE1-CD1 4.14Å; Y44-I196 HydrophobicContact CE1-CG1 3.84Å; Y44-I196 HydrophobicContact CE2-CD1 3.84Å; Y44-I196 HydrophobicContact CE2-CG1 4.42Å; Y44-I196 VanDerWaalsContact CZ-CD1 3.49Å; Y44-I196 VanDerWaalsContact OH-CD1 3.26Å; Y44-I196 WeakPolarHBondContact OH-CD1 3.47Å; Y44-L367 HydrophobicContact CE1-CD2 4.28Å; Y44-L367 WeakPolarHBondContact OH-CA 3.29Å; Y44-R368 PolarHBondContact OH-N 3.29Å; Y44-R368 PolarHBondContact OH-O 2.63Å; Y44-C371 VanDerWaalsContact CZ-C 3.46Å; Y44-C371 PolarHBondContact OH-O 2.9Å; Y44-K372 HydrophobicContact CD1-CB 4.14Å; Y44-K372 HydrophobicContact CE1-CB 3.8Å
45	S	90.1	Very high	95.6	Very high	55 Å²	55	62.2 Å²	62.2	39%	0.385	33%	0.33	S	S	.	.	S	Bend	trans	-67.4	-27	178.5	55.2	0	0	0	0	113.3
46	K	91.8	Very high	95.7	Very high	78 Å²	78	63 Å²	63	34%	0.339	33%	0.331	S	S	.	.			trans	-97.7	119.8	-179.7	-64.1	-175.8	-177.2	-178	0	111.6	Y44 S48 V49 N50 D197	Y44-K46 VanDerWaalsContact C-N 3.28Å; Y44-K46 PolarHBondContact O-N 3.23Å; K46-S48 VanDerWaalsContact C-N 3.27Å; K46-S48 PolarHBondContact O-N 3.41Å; K46-V49 HydrophobicContact CB-CB 4.24Å; K46-V49 HydrophobicContact CB-CG2 3.82Å; K46-V49 HydrophobicContact CD-CG2 4.42Å; K46-V49 WeakPolarHBondContact O-CB 3.06Å; K46-V49 PolarHBondContact O-N 2.79Å; K46-N50 PolarHBondContact O-N 3.41Å; K46-N50 VanDerWaalsContact O-N 3.12Å; K46-D197 HydrophobicContact CD-CB 4.39Å; K46-D197 PolarHBondContact NZ-O 3.18Å
47	E	92.6	Very high	95.7	Very high	100 Å²	100	67.1 Å²	67.1	47%	0.467	36%	0.355	S	S	.	.	H	α-helix	trans	-61.8	-33.3	-179.5	-174.8	54	-152.1	0	0	113.3	V49 N50 Q51 R54	E47-V49 VanDerWaalsContact C-N 3.27Å; E47-V49 PolarHBondContact O-N 2.65Å; E47-N50 PolarHBondContact O-N 3.01Å; E47-Q51 HydrophobicContact CG-CG 4.47Å; E47-Q51 WeakPolarHBondContact O-CG 3.48Å; E47-Q51 PolarHBondContact O-N 3.35Å; E47-R54 IonicContact OE1-NH1 2.78Å; E47-R54 PolarHBondContact OE1-NH1 2.96Å; E47-R54 VanDerWaalsContact OE1-NH1 3.1Å
48	S	93.8	Very high	95.6	Very high	81 Å²	81	66.9 Å²	66.9	57%	0.566	35%	0.349	S	S	*	.	H	α-helix	trans	-61.9	-36.3	175	56.9	0	0	0	0	112.5	K46 L52	K46-S48 VanDerWaalsContact C-N 3.27Å; K46-S48 PolarHBondContact O-N 3.41Å; S48-L52 PolarHBondContact O-N 3.08Å
49	V	94.7	Very high	95.6	Very high	12 Å²	12	67 Å²	67	7%	0.073	35%	0.346	C	S	.	.	H	α-helix	trans	-69.2	-44.1	174.9	178.6	0	0	0	0	109.6	Y44 K46 E47 Q51 L52 A53 I196	Y44-V49 HydrophobicContact CD2-CG1 3.53Å; Y44-V49 HydrophobicContact CE2-CG1 4.12Å; Y44-V49 HydrophobicContact CG-CG1 3.77Å; K46-V49 HydrophobicContact CB-CB 4.24Å; K46-V49 HydrophobicContact CB-CG2 3.82Å; K46-V49 HydrophobicContact CD-CG2 4.42Å; K46-V49 WeakPolarHBondContact O-CB 3.06Å; K46-V49 PolarHBondContact O-N 2.79Å; E47-V49 VanDerWaalsContact C-N 3.27Å; E47-V49 PolarHBondContact O-N 2.65Å; V49-Q51 VanDerWaalsContact C-N 3.33Å; V49-Q51 PolarHBondContact O-N 2.79Å; V49-L52 PolarHBondContact O-N 2.94Å; V49-A53 VanDerWaalsContact O-CB 3.28Å; V49-A53 WeakPolarHBondContact O-CB 3.44Å; V49-A53 PolarHBondContact O-N 3.37Å; V49-I196 HydrophobicContact CG1-CB 3.99Å; V49-I196 HydrophobicContact CG1-CD1 4.43Å; V49-I196 HydrophobicContact CG1-CG2 4.41Å
50	N	94.8	Very high	95.5	Very high	8 Å²	8	74 Å²	74	4%	0.043	37%	0.368	C	S	.	.	H	α-helix	trans	-61.1	-38.7	176.7	-69.7	-33.6	0	0	0	113	Y44 K46 E47 A53 R54	Y44-N50 WeakPolarHBondContact CA-OD1 3.27Å; Y44-N50 WeakPolarHBondContact CB-OD1 3.3Å; Y44-N50 PolarHBondContact N-OD1 3.14Å; Y44-N50 PolarHBondContact O-ND2 2.64Å; K46-N50 PolarHBondContact O-N 3.41Å; K46-N50 VanDerWaalsContact O-N 3.12Å; E47-N50 PolarHBondContact O-N 3.01Å; N50-A53 PolarHBondContact O-N 2.81Å; N50-R54 WeakPolarHBondContact O-CD 3.27Å; N50-R54 VanDerWaalsContact O-CG 3.3Å; N50-R54 WeakPolarHBondContact O-CG 3.48Å; N50-R54 PolarHBondContact O-N 3.24Å
51	Q	94.8	Very high	95.5	Very high	122 Å²	122	72.5 Å²	72.5	57%	0.57	36%	0.363	S	S	*	.	H	α-helix	trans	-62	-44.7	174.8	-73.1	175.1	6.1	0	0	111.5	E47 V49 R54	E47-Q51 HydrophobicContact CG-CG 4.47Å; E47-Q51 WeakPolarHBondContact O-CG 3.48Å; E47-Q51 PolarHBondContact O-N 3.35Å; V49-Q51 VanDerWaalsContact C-N 3.33Å; V49-Q51 PolarHBondContact O-N 2.79Å; Q51-R54 PolarHBondContact O-N 3.46Å
52	L	93.7	Very high	95.4	Very high	91 Å²	91	69 Å²	69	48%	0.476	34%	0.342	S	S	.	.	H	α-helix	trans	-65.3	-43	176.3	-175.5	63	0	0	0	111.6	S48 V49 R54 T55 K58	S48-L52 PolarHBondContact O-N 3.08Å; V49-L52 PolarHBondContact O-N 2.94Å; L52-R54 PolarHBondContact O-N 2.94Å; L52-R54 VanDerWaalsContact O-N 3.13Å; L52-T55 HydrophobicContact CD1-CG2 4.31Å; L52-T55 VanDerWaalsContact O-CB 3.31Å; L52-T55 WeakPolarHBondContact O-CB 3.39Å; L52-T55 VanDerWaalsContact O-CG2 3.26Å; L52-T55 WeakPolarHBondContact O-CG2 3.41Å; L52-T55 PolarHBondContact O-N 3.2Å; L52-T55 PolarHBondContact O-OG1 3.23Å; L52-K58 HydrophobicContact CG-CG 4.18Å; L52-K58 VanDerWaalsContact O-CG 3.22Å; L52-K58 WeakPolarHBondContact O-CG 3.26Å
53	A	94	Very high	95.4	Very high	4 Å²	4	72.7 Å²	72.7	3%	0.033	36%	0.363	C	S	.	.	H	α-helix	trans	-58.3	-25.4	-180	0	0	0	0	0	113.6	V49 N50 P369	V49-A53 VanDerWaalsContact O-CB 3.28Å; V49-A53 WeakPolarHBondContact O-CB 3.44Å; V49-A53 PolarHBondContact O-N 3.37Å; N50-A53 PolarHBondContact O-N 2.81Å; A53-P369 WeakPolarHBondContact CA-O 3.39Å; A53-P369 WeakPolarHBondContact CB-O 3.44Å
54	R	94.9	Very high	95.5	Very high	123 Å²	123	71.8 Å²	71.8	46%	0.464	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-8.6	178	-68.1	167.2	-171.4	133.7	1.6	113.9	D43 E47 N50 Q51 L52	D43-R54 IonicContact OD2-NH2 3.1Å; E47-R54 IonicContact OE1-NH1 2.78Å; E47-R54 PolarHBondContact OE1-NH1 2.96Å; E47-R54 VanDerWaalsContact OE1-NH1 3.1Å; N50-R54 WeakPolarHBondContact O-CD 3.27Å; N50-R54 VanDerWaalsContact O-CG 3.3Å; N50-R54 WeakPolarHBondContact O-CG 3.48Å; N50-R54 PolarHBondContact O-N 3.24Å; Q51-R54 PolarHBondContact O-N 3.46Å; L52-R54 PolarHBondContact O-N 2.94Å; L52-R54 VanDerWaalsContact O-N 3.13Å
55	T	96.7	Very high	95.5	Very high	53 Å²	53	75 Å²	75	33%	0.325	38%	0.377	S	S	.	.	S	Bend	trans	-68.3	153.3	178.9	63.9	0	0	0	0	112.2	L52 D57 K58 K59	L52-T55 HydrophobicContact CD1-CG2 4.31Å; L52-T55 VanDerWaalsContact O-CB 3.31Å; L52-T55 WeakPolarHBondContact O-CB 3.39Å; L52-T55 VanDerWaalsContact O-CG2 3.26Å; L52-T55 WeakPolarHBondContact O-CG2 3.41Å; L52-T55 PolarHBondContact O-N 3.2Å; L52-T55 PolarHBondContact O-OG1 3.23Å; T55-D57 VanDerWaalsContact C-N 3.26Å; T55-D57 PolarHBondContact O-N 3.39Å; T55-K58 PolarHBondContact O-N 3.18Å; T55-K58 WeakPolarHBondContact OG1-CG 3.45Å; T55-K58 PolarHBondContact OG1-N 2.85Å; T55-K59 PolarHBondContact O-N 3.48Å; T55-K59 VanDerWaalsContact O-N 3.14Å
56	E	97	Very high	95.8	Very high	103 Å²	103	75 Å²	75	48%	0.481	37%	0.371	S	S	.	.	H	α-helix	trans	-63.4	-33.5	179	-172.3	58.2	-157.8	0	0	112.4	K59 R60	E56-K59 PolarHBondContact O-N 3.08Å; E56-R60 WeakPolarHBondContact O-CG 3.36Å; E56-R60 PolarHBondContact O-N 3.07Å; E56-R60 IonicContact OE1-NE 2.83Å
57	D	96.9	Very high	96.1	Very high	118 Å²	118	77.4 Å²	77.4	63%	0.631	39%	0.388	S	S	*	.	H	α-helix	trans	-64.7	-41.6	176.9	-68.9	-21.3	0	0	0	111.6	T55 R60 L61	T55-D57 VanDerWaalsContact C-N 3.26Å; T55-D57 PolarHBondContact O-N 3.39Å; D57-R60 PolarHBondContact O-N 3.45Å; D57-L61 WeakPolarHBondContact O-CB 3.38Å; D57-L61 PolarHBondContact O-N 3.02Å
58	K	97.2	Very high	96.4	Very high	38 Å²	38	74.8 Å²	74.8	17%	0.165	38%	0.376	C	S	.	.	H	α-helix	trans	-67.9	-36.9	175.5	-69.3	-65.5	177.9	178.6	0	112.6	L52 T55 L61 D62 E260 P369	L52-K58 HydrophobicContact CG-CG 4.18Å; L52-K58 VanDerWaalsContact O-CG 3.22Å; L52-K58 WeakPolarHBondContact O-CG 3.26Å; T55-K58 PolarHBondContact O-N 3.18Å; T55-K58 WeakPolarHBondContact OG1-CG 3.45Å; T55-K58 PolarHBondContact OG1-N 2.85Å; K58-L61 HydrophobicContact CD-CD2 4.48Å; K58-L61 PolarHBondContact O-N 3.19Å; K58-D62 WeakPolarHBondContact O-CB 3.19Å; K58-D62 PolarHBondContact O-N 3.42Å; K58-E260 VanDerWaalsContact CD-OE2 3.25Å; K58-E260 WeakPolarHBondContact CD-OE2 3.37Å; K58-E260 WeakPolarHBondContact CE-OE2 3.12Å; K58-E260 IonicContact NZ-OE1 3.6Å; K58-E260 PolarHBondContact NZ-OE1 2.76Å; K58-E260 IonicContact NZ-OE2 3.25Å; K58-E260 PolarHBondContact NZ-OE2 2.84Å; K58-P369 HydrophobicContact CB-CB 4.32Å; K58-P369 HydrophobicContact CD-CB 3.98Å
59	K	97.2	Very high	96.6	Very high	101 Å²	101	70.9 Å²	70.9	44%	0.439	35%	0.349	S	S	.	.	H	α-helix	trans	-61.9	-45.6	172.8	-67.8	177.1	-171.7	172.4	0	111.9	T55 E56 L61 D62 V63 T370	T55-K59 PolarHBondContact O-N 3.48Å; T55-K59 VanDerWaalsContact O-N 3.14Å; E56-K59 PolarHBondContact O-N 3.08Å; K59-L61 VanDerWaalsContact C-N 3.32Å; K59-L61 PolarHBondContact O-N 3.38Å; K59-D62 PolarHBondContact O-N 2.82Å; K59-V63 WeakPolarHBondContact O-CG2 3.36Å; K59-V63 PolarHBondContact O-N 2.92Å; K59-T370 HydrophobicContact CG-CG2 4.1Å
60	R	97.3	Very high	96.8	Very high	159 Å²	159	72.6 Å²	72.6	60%	0.6	36%	0.355	S	S	*	.	H	α-helix	trans	-63	-40	176.5	-71.9	173.9	-175.5	179.1	-0.4	112	E56 D57 S64	E56-R60 WeakPolarHBondContact O-CG 3.36Å; E56-R60 PolarHBondContact O-N 3.07Å; E56-R60 IonicContact OE1-NE 2.83Å; D57-R60 PolarHBondContact O-N 3.45Å; R60-S64 PolarHBondContact O-N 3.12Å; R60-S64 VanDerWaalsContact O-N 3.16Å
61	L	97.6	Very high	97	Very high	57 Å²	57	73.7 Å²	73.7	30%	0.298	36%	0.361	S	S	.	.	H	α-helix	trans	-64.7	-43.4	176.3	-173	63	0	0	0	111.6	D57 K58 K59 V63 S64 Y65 E260 P369	D57-L61 WeakPolarHBondContact O-CB 3.38Å; D57-L61 PolarHBondContact O-N 3.02Å; K58-L61 HydrophobicContact CD-CD2 4.48Å; K58-L61 PolarHBondContact O-N 3.19Å; K59-L61 VanDerWaalsContact C-N 3.32Å; K59-L61 PolarHBondContact O-N 3.38Å; L61-V63 VanDerWaalsContact C-N 3.35Å; L61-V63 PolarHBondContact O-N 3.04Å; L61-S64 PolarHBondContact O-N 3.46Å; L61-S64 PolarHBondContact O-OG 2.92Å; L61-Y65 HydrophobicContact CD1-CE2 3.84Å; L61-Y65 HydrophobicContact CG-CD2 4.49Å; L61-Y65 HydrophobicContact CG-CE2 4.09Å; L61-Y65 VanDerWaalsContact O-CD2 3.24Å; L61-Y65 WeakPolarHBondContact O-CD2 3.35Å; L61-E260 WeakPolarHBondContact CD2-OE1 3.11Å; L61-P369 HydrophobicContact CB-CB 4.34Å; L61-P369 HydrophobicContact CB-CG 4.24Å; L61-P369 HydrophobicContact CD2-CB 4.18Å; L61-P369 HydrophobicContact CD2-CG 3.95Å; L61-P369 HydrophobicContact CG-CB 4.36Å; L61-P369 HydrophobicContact CG-CG 3.87Å
62	D	97.9	Very high	97.1	Very high	6 Å²	6	68.1 Å²	68.1	3%	0.032	34%	0.335	C	S	.	.	H	α-helix	trans	-64.3	-41.3	178.7	-162.6	0.3	0	0	0	111.8	K58 K59 S64 Y65 E66 W69 R368 P369 T370	K58-D62 WeakPolarHBondContact O-CB 3.19Å; K58-D62 PolarHBondContact O-N 3.42Å; K59-D62 PolarHBondContact O-N 2.82Å; D62-S64 PolarHBondContact O-N 3.41Å; D62-Y65 PolarHBondContact O-N 3.37Å; D62-E66 PolarHBondContact O-N 3.42Å; D62-W69 PolarHBondContact OD1-NE1 3.39Å; D62-R368 IonicContact OD1-CZ 3.83Å; D62-R368 IonicContact OD1-NE 3.02Å; D62-R368 PolarHBondContact OD1-NE 3.47Å; D62-R368 IonicContact OD1-NH2 2.63Å; D62-R368 PolarHBondContact OD1-NH2 2.88Å; D62-R368 IonicContact OD2-CZ 3.5Å; D62-R368 IonicContact OD2-NE 3.63Å; D62-R368 PolarHBondContact OD2-NE 2.82Å; D62-R368 IonicContact OD2-NH2 2.78Å; D62-R368 PolarHBondContact OD2-NH2 2.95Å; D62-P369 HydrophobicContact CB-CB 4.1Å; D62-P369 HydrophobicContact CB-CG 4.05Å; D62-T370 HydrophobicContact CB-CG2 3.8Å; D62-T370 WeakPolarHBondContact OD2-CB 3.37Å; D62-T370 WeakPolarHBondContact OD2-CG2 3.38Å; D62-T370 PolarHBondContact OD2-OG1 2.85Å
63	V	97.3	Very high	97.4	Very high	106 Å²	106	64.2 Å²	64.2	64%	0.642	31%	0.314	S	S	*	.	H	α-helix	trans	-60.6	-32.7	174.6	171.3	0	0	0	0	112	K59 L61 Y65 E66	K59-V63 WeakPolarHBondContact O-CG2 3.36Å; K59-V63 PolarHBondContact O-N 2.92Å; L61-V63 VanDerWaalsContact C-N 3.35Å; L61-V63 PolarHBondContact O-N 3.04Å; V63-Y65 PolarHBondContact O-N 3.41Å; V63-E66 VanDerWaalsContact O-CB 3.31Å; V63-E66 WeakPolarHBondContact O-CB 3.5Å; V63-E66 PolarHBondContact O-N 3.49Å
64	S	97.8	Very high	97.6	Very high	85 Å²	85	65.6 Å²	65.6	59%	0.594	32%	0.318	S	S	*	.	H	α-helix	trans	-70.3	-16.6	178.2	77.4	0	0	0	0	113.6	R60 L61 D62	R60-S64 PolarHBondContact O-N 3.12Å; R60-S64 VanDerWaalsContact O-N 3.16Å; L61-S64 PolarHBondContact O-N 3.46Å; L61-S64 PolarHBondContact O-OG 2.92Å; D62-S64 PolarHBondContact O-N 3.41Å
65	Y	97.6	Very high	97.8	Very high	76 Å²	76	59.7 Å²	59.7	30%	0.298	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	3.8	174.1	-69.6	-73.8	0	0	0	113.7	L61 D62 V63 D67 M68 W69 N261	L61-Y65 HydrophobicContact CD1-CE2 3.84Å; L61-Y65 HydrophobicContact CG-CD2 4.49Å; L61-Y65 HydrophobicContact CG-CE2 4.09Å; L61-Y65 VanDerWaalsContact O-CD2 3.24Å; L61-Y65 WeakPolarHBondContact O-CD2 3.35Å; D62-Y65 PolarHBondContact O-N 3.37Å; V63-Y65 PolarHBondContact O-N 3.41Å; Y65-D67 VanDerWaalsContact C-N 3.31Å; Y65-D67 PolarHBondContact O-N 2.96Å; Y65-M68 HydrophobicContact CD1-CE 3.76Å; Y65-M68 HydrophobicContact CE1-CE 4.15Å; Y65-M68 WeakPolarHBondContact O-CA 3.37Å; Y65-M68 VanDerWaalsContact O-CB 3.25Å; Y65-M68 WeakPolarHBondContact O-CB 3.38Å; Y65-M68 PolarHBondContact O-N 3.45Å; Y65-W69 VanDerWaalsContact CB-CE2 3.4Å; Y65-W69 HydrophobicContact CD2-CZ2 4.41Å; Y65-W69 AromaticContact CG-CZ2 3.98Å; Y65-W69 HydrophobicContact CG-CZ2 3.98Å; Y65-W69 PolarHBondContact O-N 2.97Å; Y65-W69 VanDerWaalsContact O-N 3.08Å; Y65-N261 WeakPolarHBondContact CE2-ND2 3.4Å
66	E	97.3	Very high	97.9	Very high	53 Å²	53	57.2 Å²	57.2	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-57.9	-38.1	-170.3	-178.2	58	-159.8	0	0	113.8	D62 V63 M68 W69 K70 R73	D62-E66 PolarHBondContact O-N 3.42Å; V63-E66 VanDerWaalsContact O-CB 3.31Å; V63-E66 WeakPolarHBondContact O-CB 3.5Å; V63-E66 PolarHBondContact O-N 3.49Å; E66-M68 VanDerWaalsContact C-N 3.29Å; E66-M68 PolarHBondContact O-N 2.93Å; E66-W69 PolarHBondContact O-N 3.14Å; E66-K70 HydrophobicContact CG-CD 4.42Å; E66-K70 WeakPolarHBondContact O-CG 3.33Å; E66-K70 PolarHBondContact O-N 2.8Å; E66-K70 WeakPolarHBondContact OE1-CE 3.42Å; E66-R73 IonicContact OE1-NH1 2.76Å; E66-R73 PolarHBondContact OE1-NH1 3.4Å; E66-R73 IonicContact OE2-NH1 3.35Å; E66-R73 PolarHBondContact OE2-NH1 2.79Å; E66-R73 IonicContact OE2-NH2 3.88Å
67	D	97.1	Very high	98	Very high	130 Å²	130	53.5 Å²	53.5	70%	0.695	26%	0.263	S	S	*	.	H	α-helix	trans	-62.7	-37.7	176.1	-71	-22.9	0	0	0	111.8	Y65 K70 D71	Y65-D67 VanDerWaalsContact C-N 3.31Å; Y65-D67 PolarHBondContact O-N 2.96Å; D67-K70 PolarHBondContact O-N 3.3Å; D67-D71 PolarHBondContact O-N 3.19Å
68	M	98.1	Very high	98.1	Very high	44 Å²	44	47.9 Å²	47.9	22%	0.217	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-43.5	174.3	-172.4	-173.3	-52.5	0	0	111.1	Y65 E66 K70 D71 F72 R162	Y65-M68 HydrophobicContact CD1-CE 3.76Å; Y65-M68 HydrophobicContact CE1-CE 4.15Å; Y65-M68 WeakPolarHBondContact O-CA 3.37Å; Y65-M68 VanDerWaalsContact O-CB 3.25Å; Y65-M68 WeakPolarHBondContact O-CB 3.38Å; Y65-M68 PolarHBondContact O-N 3.45Å; E66-M68 VanDerWaalsContact C-N 3.29Å; E66-M68 PolarHBondContact O-N 2.93Å; M68-K70 VanDerWaalsContact C-N 3.33Å; M68-K70 PolarHBondContact O-N 2.69Å; M68-D71 PolarHBondContact O-N 3.46Å; M68-F72 HydrophobicContact CG-CD2 4.25Å; M68-F72 HydrophobicContact CG-CE2 3.95Å; M68-F72 VanDerWaalsContact O-CD2 3.29Å; M68-F72 WeakPolarHBondContact O-CD2 3.47Å; M68-F72 PolarHBondContact O-N 3.03Å; M68-F72 HydrophobicContact SD-CE2 4.27Å; M68-R162 HydrophobicContact CG-CG 4.27Å
69	W	98.4	Very high	98.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.2	-37.3	178.1	-52.5	146.6	0	0	0	112.1	D62 Y65 E66 D71 F72 R73 N261 V263 L366 R368	D62-W69 PolarHBondContact OD1-NE1 3.39Å; Y65-W69 VanDerWaalsContact CB-CE2 3.4Å; Y65-W69 HydrophobicContact CD2-CZ2 4.41Å; Y65-W69 AromaticContact CG-CZ2 3.98Å; Y65-W69 HydrophobicContact CG-CZ2 3.98Å; Y65-W69 PolarHBondContact O-N 2.97Å; Y65-W69 VanDerWaalsContact O-N 3.08Å; E66-W69 PolarHBondContact O-N 3.14Å; W69-D71 VanDerWaalsContact C-N 3.34Å; W69-D71 PolarHBondContact O-N 2.97Å; W69-F72 HydrophobicContact CE3-CD2 4Å; W69-F72 HydrophobicContact CE3-CE2 4.35Å; W69-F72 HydrophobicContact CZ3-CD2 4.32Å; W69-F72 HydrophobicContact CZ3-CE2 4.22Å; W69-F72 PolarHBondContact O-N 3.12Å; W69-R73 WeakPolarHBondContact O-CB 3.32Å; W69-R73 VanDerWaalsContact O-CG 3.27Å; W69-R73 WeakPolarHBondContact O-CG 3.26Å; W69-R73 PolarHBondContact O-N 2.95Å; W69-N261 HydrophobicContact CH2-CB 4.35Å; W69-V263 HydrophobicContact CZ3-CG2 4.42Å; W69-L366 HydrophobicContact CD2-CD1 4.44Å; W69-L366 HydrophobicContact CE3-CD1 3.87Å; W69-L366 HydrophobicContact CE3-CD2 4.4Å; W69-L366 HydrophobicContact CZ3-CB 4.45Å; W69-L366 HydrophobicContact CZ3-CD1 4.48Å; W69-L366 HydrophobicContact CZ3-CD2 4.33Å; W69-R368 HydrophobicContact CD2-CG 4.13Å; W69-R368 HydrophobicContact CH2-CG 4.48Å; W69-R368 HydrophobicContact CZ2-CG 3.94Å
70	K	98.5	Very high	98.2	Very high	47 Å²	47	42.7 Å²	42.7	20%	0.204	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-40.9	173.5	-77	178.1	172.2	-169.3	0	112.4	G34 N35 Y36 E66 D67 M68 R73 R74	G34-K70 WeakPolarHBondContact O-CD 3.43Å; N35-K70 PolarHBondContact OD1-NZ 3.44Å; Y36-K70 HydrophobicContact CD2-CB 4.2Å; Y36-K70 VanDerWaalsContact CD2-O 3.3Å; Y36-K70 WeakPolarHBondContact CD2-O 3.15Å; Y36-K70 HydrophobicContact CE2-CB 4.48Å; E66-K70 HydrophobicContact CG-CD 4.42Å; E66-K70 WeakPolarHBondContact O-CG 3.33Å; E66-K70 PolarHBondContact O-N 2.8Å; E66-K70 WeakPolarHBondContact OE1-CE 3.42Å; D67-K70 PolarHBondContact O-N 3.3Å; M68-K70 VanDerWaalsContact C-N 3.33Å; M68-K70 PolarHBondContact O-N 2.69Å; K70-R73 PolarHBondContact O-N 2.8Å; K70-R74 WeakPolarHBondContact O-CB 3.48Å; K70-R74 PolarHBondContact O-N 2.96Å
71	D	98.8	Very high	98.3	Very high	32 Å²	32	35.5 Å²	35.5	17%	0.171	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-44.2	175.4	-79.9	-12	0	0	0	111.8	D67 M68 W69 R74 A75 I159 N160 R162	D67-D71 PolarHBondContact O-N 3.19Å; M68-D71 PolarHBondContact O-N 3.46Å; W69-D71 VanDerWaalsContact C-N 3.34Å; W69-D71 PolarHBondContact O-N 2.97Å; D71-R74 PolarHBondContact O-N 3.18Å; D71-A75 PolarHBondContact O-N 3.4Å; D71-A75 VanDerWaalsContact O-N 3.07Å; D71-I159 HydrophobicContact CB-CB 4.02Å; D71-I159 HydrophobicContact CB-CG2 4.05Å; D71-I159 VanDerWaalsContact OD1-CG2 3.25Å; D71-I159 WeakPolarHBondContact OD1-CG2 3.46Å; D71-N160 WeakPolarHBondContact OD2-CB 3.42Å; D71-N160 PolarHBondContact OD2-ND2 2.82Å; D71-R162 HydrophobicContact CB-CB 3.98Å; D71-R162 HydrophobicContact CB-CG 3.66Å
72	F	98.9	Very high	98.3	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.018	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-44.9	173.2	-78.5	-72.6	0	0	0	112.2	M68 W69 R74 A75 A76 R162 I163 I164 V263 L366 V375	M68-F72 HydrophobicContact CG-CD2 4.25Å; M68-F72 HydrophobicContact CG-CE2 3.95Å; M68-F72 VanDerWaalsContact O-CD2 3.29Å; M68-F72 WeakPolarHBondContact O-CD2 3.47Å; M68-F72 PolarHBondContact O-N 3.03Å; M68-F72 HydrophobicContact SD-CE2 4.27Å; W69-F72 HydrophobicContact CE3-CD2 4Å; W69-F72 HydrophobicContact CE3-CE2 4.35Å; W69-F72 HydrophobicContact CZ3-CD2 4.32Å; W69-F72 HydrophobicContact CZ3-CE2 4.22Å; W69-F72 PolarHBondContact O-N 3.12Å; F72-R74 PolarHBondContact O-N 3.02Å; F72-A75 PolarHBondContact O-N 3.03Å; F72-A76 WeakPolarHBondContact O-CB 3.32Å; F72-A76 PolarHBondContact O-N 2.93Å; F72-R162 HydrophobicContact CD1-CB 3.85Å; F72-R162 HydrophobicContact CD2-CB 3.9Å; F72-R162 HydrophobicContact CD2-CG 4.23Å; F72-R162 HydrophobicContact CE1-CB 3.78Å; F72-R162 HydrophobicContact CE2-CB 3.84Å; F72-R162 HydrophobicContact CE2-CG 4.03Å; F72-R162 HydrophobicContact CG-CB 3.9Å; F72-R162 HydrophobicContact CZ-CB 3.77Å; F72-R162 HydrophobicContact CZ-CG 4.3Å; F72-I163 VanDerWaalsContact CE1-O 3.26Å; F72-I163 WeakPolarHBondContact CE1-O 3.32Å; F72-I164 HydrophobicContact CB-CD1 4.38Å; F72-I164 HydrophobicContact CD1-CD1 3.96Å; F72-V263 HydrophobicContact CE1-CG1 3.9Å; F72-V263 HydrophobicContact CE1-CG2 4.45Å; F72-V263 HydrophobicContact CE2-CG2 3.95Å; F72-V263 HydrophobicContact CZ-CB 4.28Å; F72-V263 HydrophobicContact CZ-CG1 3.96Å; F72-V263 HydrophobicContact CZ-CG2 3.71Å; F72-L366 HydrophobicContact CB-CD1 4.19Å; F72-L366 HydrophobicContact CB-CD2 4.23Å; F72-L366 HydrophobicContact CD1-CD2 4.05Å; F72-L366 HydrophobicContact CD2-CD2 3.82Å; F72-L366 HydrophobicContact CE1-CD2 4.34Å; F72-L366 HydrophobicContact CE2-CD2 4.12Å; F72-L366 HydrophobicContact CG-CD2 3.79Å; F72-L366 HydrophobicContact CZ-CD2 4.38Å; F72-V375 HydrophobicContact CB-CG2 4.18Å
73	R	98.9	Very high	98.3	Very high	10 Å²	10	32.5 Å²	32.5	4%	0.038	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-39.2	179.7	-70.8	167.9	-168.9	150.4	6.6	112.2	L38 E66 W69 K70 A76 E77 E373 V375	L38-R73 VanDerWaalsContact CD2-NE 3.34Å; E66-R73 IonicContact OE1-NH1 2.76Å; E66-R73 PolarHBondContact OE1-NH1 3.4Å; E66-R73 IonicContact OE2-NH1 3.35Å; E66-R73 PolarHBondContact OE2-NH1 2.79Å; E66-R73 IonicContact OE2-NH2 3.88Å; W69-R73 WeakPolarHBondContact O-CB 3.32Å; W69-R73 VanDerWaalsContact O-CG 3.27Å; W69-R73 WeakPolarHBondContact O-CG 3.26Å; W69-R73 PolarHBondContact O-N 2.95Å; K70-R73 PolarHBondContact O-N 2.8Å; R73-A76 PolarHBondContact O-N 3.03Å; R73-E77 WeakPolarHBondContact O-CB 3.03Å; R73-E77 PolarHBondContact O-N 3.13Å; R73-E373 IonicContact CZ-OE1 3.11Å; R73-E373 IonicContact CZ-OE2 2.74Å; R73-E373 IonicContact NE-OE1 3.72Å; R73-E373 PolarHBondContact NE-OE1 3.39Å; R73-E373 IonicContact NE-OE2 2.98Å; R73-E373 PolarHBondContact NE-OE2 3.23Å; R73-E373 IonicContact NH2-OE1 3.41Å; R73-E373 IonicContact NH2-OE2 3.29Å; R73-E373 PolarHBondContact NH2-OE2 3.37Å; R73-V375 HydrophobicContact CG-CG2 3.86Å
74	R	98.8	Very high	98.3	Very high	32 Å²	32	34 Å²	34	12%	0.121	16%	0.163	C	C	.	.	H	α-helix	trans	-60.9	-50.7	172.7	-178.9	-179.9	171.5	-169.1	-1.7	111	V27 D28 Y36 K70 D71 F72 A76 E77 V78 V111 I159	V27-R74 HydrophobicContact CG1-CG 4.05Å; D28-R74 IonicContact OD1-NH2 2.73Å; D28-R74 IonicContact OD2-NH2 3.8Å; Y36-R74 HydrophobicContact CD1-CB 3.87Å; Y36-R74 HydrophobicContact CD1-CG 4.09Å; Y36-R74 HydrophobicContact CD2-CB 3.7Å; Y36-R74 HydrophobicContact CE1-CB 3.86Å; Y36-R74 HydrophobicContact CE1-CG 3.71Å; Y36-R74 HydrophobicContact CE2-CB 3.71Å; Y36-R74 HydrophobicContact CE2-CG 4.25Å; Y36-R74 HydrophobicContact CG-CB 3.78Å; Y36-R74 WeakPolarHBondContact OH-CD 3.46Å; K70-R74 WeakPolarHBondContact O-CB 3.48Å; K70-R74 PolarHBondContact O-N 2.96Å; D71-R74 PolarHBondContact O-N 3.18Å; F72-R74 PolarHBondContact O-N 3.02Å; R74-A76 PolarHBondContact O-N 2.84Å; R74-E77 PolarHBondContact O-N 2.95Å; R74-V78 WeakPolarHBondContact O-CG2 3.22Å; R74-V78 PolarHBondContact O-N 3.03Å; R74-V78 VanDerWaalsContact O-N 3.08Å; R74-V111 PolarHBondContact NH2-O 3.33Å; R74-I159 HydrophobicContact CB-CG1 4.1Å; R74-I159 HydrophobicContact CG-CD1 4.1Å; R74-I159 HydrophobicContact CG-CG1 3.96Å
75	A	98.9	Very high	98.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.9	-38.9	177.3	0	0	0	0	0	111.6	D71 F72 V78 H79 I157 I159 I164	D71-A75 PolarHBondContact O-N 3.4Å; D71-A75 VanDerWaalsContact O-N 3.07Å; F72-A75 PolarHBondContact O-N 3.03Å; A75-V78 WeakPolarHBondContact O-CB 3.46Å; A75-V78 PolarHBondContact O-N 3.36Å; A75-H79 PolarHBondContact O-N 2.84Å; A75-I157 HydrophobicContact CB-CB 4.24Å; A75-I157 HydrophobicContact CB-CG2 3.94Å; A75-I159 HydrophobicContact CB-CG1 4.13Å; A75-I164 HydrophobicContact CB-CB 4.24Å; A75-I164 HydrophobicContact CB-CG1 3.54Å
76	A	98.9	Very high	98.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.8	-36.7	-179.3	0	0	0	0	0	111.9	F72 R73 R74 H79 R80 I164 V375	F72-A76 WeakPolarHBondContact O-CB 3.32Å; F72-A76 PolarHBondContact O-N 2.93Å; R73-A76 PolarHBondContact O-N 3.03Å; R74-A76 PolarHBondContact O-N 2.84Å; A76-H79 WeakPolarHBondContact O-CB 3.01Å; A76-H79 PolarHBondContact O-N 2.88Å; A76-R80 WeakPolarHBondContact O-CG 3.32Å; A76-R80 PolarHBondContact O-N 3.02Å; A76-I164 HydrophobicContact CB-CD1 3.91Å; A76-I164 HydrophobicContact CB-CG1 3.97Å; A76-V375 HydrophobicContact CB-CG2 3.96Å; A76-V375 WeakPolarHBondContact CB-O 3.36Å
77	E	98.8	Very high	98.2	Very high	25 Å²	25	29.2 Å²	29.2	12%	0.117	13%	0.131	C	C	.	.	H	α-helix	trans	-67.4	-39.7	175.3	-175.7	55.8	-153.4	0	0	111.9	V27 F31 R73 R74 H79 R80 Q81	V27-E77 HydrophobicContact CG1-CB 3.93Å; V27-E77 HydrophobicContact CG1-CG 3.8Å; V27-E77 HydrophobicContact CG2-CG 4.24Å; F31-E77 HydrophobicContact CE2-CG 3.91Å; F31-E77 HydrophobicContact CZ-CG 4.49Å; R73-E77 WeakPolarHBondContact O-CB 3.03Å; R73-E77 PolarHBondContact O-N 3.13Å; R74-E77 PolarHBondContact O-N 2.95Å; E77-H79 VanDerWaalsContact C-N 3.3Å; E77-H79 PolarHBondContact O-N 3.31Å; E77-R80 PolarHBondContact O-N 3.41Å; E77-R80 IonicContact OE2-CZ 3.89Å; E77-R80 VanDerWaalsContact OE2-CZ 3.25Å; E77-R80 IonicContact OE2-NE 3.52Å; E77-R80 PolarHBondContact OE2-NE 3.07Å; E77-R80 IonicContact OE2-NH2 2.97Å; E77-R80 PolarHBondContact OE2-NH2 3.37Å; E77-Q81 WeakPolarHBondContact O-CG 3.38Å; E77-Q81 PolarHBondContact O-N 2.98Å; E77-Q81 WeakPolarHBondContact OE1-CG 3.14Å; E77-Q81 PolarHBondContact OE1-NE2 2.61Å
78	V	98.8	Very high	98.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.7	-45.1	170.4	174.4	0	0	0	0	110.4	V27 R74 A75 Q81 T82 L110 V111 I157	V27-V78 HydrophobicContact CB-CG2 3.82Å; V27-V78 HydrophobicContact CG1-CG2 4.42Å; V27-V78 HydrophobicContact CG2-CB 4.32Å; V27-V78 HydrophobicContact CG2-CG2 3.48Å; V27-V78 VanDerWaalsContact CG2-CG2 3.48Å; R74-V78 WeakPolarHBondContact O-CG2 3.22Å; R74-V78 PolarHBondContact O-N 3.03Å; R74-V78 VanDerWaalsContact O-N 3.08Å; A75-V78 WeakPolarHBondContact O-CB 3.46Å; A75-V78 PolarHBondContact O-N 3.36Å; V78-Q81 PolarHBondContact O-N 2.95Å; V78-T82 VanDerWaalsContact O-CB 3.26Å; V78-T82 WeakPolarHBondContact O-CB 3.15Å; V78-T82 PolarHBondContact O-N 3.33Å; V78-T82 PolarHBondContact O-OG1 3.23Å; V78-L110 HydrophobicContact CG1-CB 3.87Å; V78-L110 HydrophobicContact CG2-CB 4.42Å; V78-V111 HydrophobicContact CG1-CB 4.04Å; V78-V111 HydrophobicContact CG2-CB 4.16Å; V78-V111 HydrophobicContact CG2-CG2 4.29Å; V78-I157 HydrophobicContact CB-CG1 4.34Å; V78-I157 HydrophobicContact CB-CG2 3.98Å; V78-I157 HydrophobicContact CG1-CD1 3.85Å; V78-I157 HydrophobicContact CG1-CG1 3.86Å; V78-I157 HydrophobicContact CG1-CG2 3.91Å; V78-I157 HydrophobicContact CG2-CG2 4.48Å
79	H	98.9	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61	-50.8	179.1	-166.4	-69	0	0	0	111.7	A75 A76 E77 Q81 T82 R83 F155 I157 I164 S166	A75-H79 PolarHBondContact O-N 2.84Å; A76-H79 WeakPolarHBondContact O-CB 3.01Å; A76-H79 PolarHBondContact O-N 2.88Å; E77-H79 VanDerWaalsContact C-N 3.3Å; E77-H79 PolarHBondContact O-N 3.31Å; H79-Q81 PolarHBondContact O-N 3.2Å; H79-T82 PolarHBondContact O-N 3.31Å; H79-R83 WeakPolarHBondContact ND1-CD 3.32Å; H79-R83 PolarHBondContact ND1-NH1 3.43Å; H79-R83 WeakPolarHBondContact O-CG 3.41Å; H79-R83 PolarHBondContact O-N 3.26Å; H79-F155 HydrophobicContact CB-CE2 4.43Å; H79-F155 HydrophobicContact CB-CZ 4.47Å; H79-F155 AromaticContact CD2-CD2 3.94Å; H79-F155 AromaticContact CD2-CE2 3.49Å; H79-F155 VanDerWaalsContact CD2-CE2 3.49Å; H79-F155 WeakPolarHBondContact CD2-CE2 3.3Å; H79-F155 AromaticContact CD2-CZ 3.55Å; H79-F155 PolarHBondContact CD2-O 3.46Å; H79-F155 AromaticContact CE1-CE1 3.42Å; H79-F155 VanDerWaalsContact CE1-CE1 3.42Å; H79-F155 WeakPolarHBondContact CE1-CE1 3.27Å; H79-F155 AromaticContact CE1-CZ 3.45Å; H79-F155 VanDerWaalsContact CE1-CZ 3.45Å; H79-F155 WeakPolarHBondContact CE1-CZ 3.49Å; H79-F155 AromaticContact CG-CE2 3.85Å; H79-F155 AromaticContact CG-CZ 3.65Å; H79-F155 AromaticContact ND1-CZ 3.62Å; H79-F155 AromaticContact NE2-CD1 3.74Å; H79-F155 AromaticContact NE2-CE1 3.42Å; H79-F155 WeakPolarHBondContact NE2-CE1 3.5Å; H79-F155 AromaticContact NE2-CE2 3.73Å; H79-F155 AromaticContact NE2-CZ 3.42Å; H79-F155 WeakPolarHBondContact NE2-CZ 3.35Å; H79-F155 PolarHBondContact NE2-O 2.92Å; H79-I157 HydrophobicContact CB-CG1 4.27Å; H79-I164 HydrophobicContact CB-CG2 4.1Å; H79-S166 PolarHBondContact CE1-O 3.06Å; H79-S166 PolarHBondContact NE2-O 3.38Å
80	R	98.8	Very high	98.1	Very high	30 Å²	30	25 Å²	25	11%	0.113	11%	0.109	C	C	.	.	H	α-helix	trans	-54.7	-48.6	175.8	-79.8	-170.8	-72.2	-88.2	-1.1	112.6	A76 E77 R83 Y84 V375 R377	A76-R80 WeakPolarHBondContact O-CG 3.32Å; A76-R80 PolarHBondContact O-N 3.02Å; E77-R80 PolarHBondContact O-N 3.41Å; E77-R80 IonicContact OE2-CZ 3.89Å; E77-R80 VanDerWaalsContact OE2-CZ 3.25Å; E77-R80 IonicContact OE2-NE 3.52Å; E77-R80 PolarHBondContact OE2-NE 3.07Å; E77-R80 IonicContact OE2-NH2 2.97Å; E77-R80 PolarHBondContact OE2-NH2 3.37Å; R80-R83 WeakPolarHBondContact O-CG 3.01Å; R80-Y84 VanDerWaalsContact O-CB 3.24Å; R80-Y84 WeakPolarHBondContact O-CB 3.42Å; R80-Y84 PolarHBondContact O-N 3.24Å; R80-V375 PolarHBondContact NH1-O 3.48Å; R80-R377 WeakPolarHBondContact CD-O 3.35Å; R80-R377 PolarHBondContact NH1-O 3.04Å; R80-R377 VanDerWaalsContact NH1-O 3.08Å
81	Q	98.3	Very high	98	Very high	9 Å²	9	28.3 Å²	28.3	4%	0.042	13%	0.126	C	C	.	.	H	α-helix	trans	-67.9	-38.7	-179.7	-67.8	-169.9	29.2	0	0	111.9	E77 V78 H79 W85 L110	E77-Q81 WeakPolarHBondContact O-CG 3.38Å; E77-Q81 PolarHBondContact O-N 2.98Å; E77-Q81 WeakPolarHBondContact OE1-CG 3.14Å; E77-Q81 PolarHBondContact OE1-NE2 2.61Å; V78-Q81 PolarHBondContact O-N 2.95Å; H79-Q81 PolarHBondContact O-N 3.2Å; Q81-W85 WeakPolarHBondContact O-CB 3.19Å; Q81-W85 PolarHBondContact O-N 2.97Å; Q81-W85 VanDerWaalsContact O-N 3.07Å; Q81-L110 HydrophobicContact CB-CD1 3.5Å
82	T	98	Very high	98	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.3	-52.6	177.3	-59	0	0	0	0	111	V78 H79 Y84 W85 V86 L103 Y106 A107 F155	V78-T82 VanDerWaalsContact O-CB 3.26Å; V78-T82 WeakPolarHBondContact O-CB 3.15Å; V78-T82 PolarHBondContact O-N 3.33Å; V78-T82 PolarHBondContact O-OG1 3.23Å; H79-T82 PolarHBondContact O-N 3.31Å; T82-Y84 VanDerWaalsContact C-N 3.34Å; T82-Y84 PolarHBondContact O-N 2.97Å; T82-W85 WeakPolarHBondContact O-CB 3.49Å; T82-W85 PolarHBondContact O-N 3.15Å; T82-W85 VanDerWaalsContact O-N 3.12Å; T82-V86 HydrophobicContact CG2-CG2 4.38Å; T82-V86 VanDerWaalsContact O-CG2 3.26Å; T82-V86 WeakPolarHBondContact O-CG2 3.29Å; T82-V86 PolarHBondContact O-N 2.88Å; T82-L103 HydrophobicContact CG2-CD2 4Å; T82-L103 HydrophobicContact CG2-CG 3.97Å; T82-Y106 HydrophobicContact CG2-CD1 4.25Å; T82-A107 HydrophobicContact CG2-CB 4.02Å; T82-F155 HydrophobicContact CG2-CE2 3.69Å; T82-F155 HydrophobicContact CG2-CZ 3.75Å
83	R	98.2	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66	-35.8	-178.4	78.2	-163.2	-167	-158.8	1.5	112.6	H79 R80 W85 V86 K87 F155 F168 S376 G378 D380 Y381	H79-R83 WeakPolarHBondContact ND1-CD 3.32Å; H79-R83 PolarHBondContact ND1-NH1 3.43Å; H79-R83 WeakPolarHBondContact O-CG 3.41Å; H79-R83 PolarHBondContact O-N 3.26Å; R80-R83 WeakPolarHBondContact O-CG 3.01Å; R83-W85 VanDerWaalsContact C-N 3.33Å; R83-W85 PolarHBondContact O-N 2.95Å; R83-V86 PolarHBondContact O-N 3.17Å; R83-K87 WeakPolarHBondContact O-CG 3.37Å; R83-K87 PolarHBondContact O-N 3.07Å; R83-K87 VanDerWaalsContact O-N 3.1Å; R83-F155 HydrophobicContact CB-CE1 4Å; R83-F155 HydrophobicContact CB-CZ 4.06Å; R83-F168 HydrophobicContact CB-CD1 4.33Å; R83-F168 HydrophobicContact CB-CE1 3.62Å; R83-F168 HydrophobicContact CB-CZ 4.18Å; R83-S376 PolarHBondContact NH1-O 3.45Å; R83-S376 PolarHBondContact NH2-O 3.46Å; R83-S376 VanDerWaalsContact NH2-O 3.11Å; R83-G378 VanDerWaalsContact NH2-N 3.14Å; R83-D380 IonicContact CZ-OD1 3.81Å; R83-D380 IonicContact CZ-OD2 3.15Å; R83-D380 IonicContact NE-OD1 2.69Å; R83-D380 PolarHBondContact NE-OD1 3.38Å; R83-D380 VanDerWaalsContact NE-OD1 3.11Å; R83-D380 IonicContact NE-OD2 2.75Å; R83-D380 PolarHBondContact NE-OD2 3.13Å; R83-D380 IonicContact NH2-OD1 2.79Å; R83-D380 PolarHBondContact NH2-OD1 2.99Å; R83-Y381 VanDerWaalsContact CZ-CE1 3.42Å; R83-Y381 PolarHBondContact NH1-OH 3.14Å
84	Y	97.2	Very high	98	Very high	137 Å²	137	32.4 Å²	32.4	54%	0.537	17%	0.165	S	C	.	.	H	α-helix	trans	-58.8	-47.7	171.7	177.3	-92.5	0	0	0	110.5	R80 T82 K87 T88	R80-Y84 VanDerWaalsContact O-CB 3.24Å; R80-Y84 WeakPolarHBondContact O-CB 3.42Å; R80-Y84 PolarHBondContact O-N 3.24Å; T82-Y84 VanDerWaalsContact C-N 3.34Å; T82-Y84 PolarHBondContact O-N 2.97Å; Y84-K87 PolarHBondContact O-N 2.92Å; Y84-T88 HydrophobicContact CE1-CG2 4.38Å; Y84-T88 WeakPolarHBondContact O-CG2 3.45Å
85	W	96.8	Very high	98	Very high	29 Å²	29	34.4 Å²	34.4	11%	0.11	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-42.8	178.4	-177.9	74.3	0	0	0	112.4	Q81 T82 R83 K87 T88 W89 R102 Y106	Q81-W85 WeakPolarHBondContact O-CB 3.19Å; Q81-W85 PolarHBondContact O-N 2.97Å; Q81-W85 VanDerWaalsContact O-N 3.07Å; T82-W85 WeakPolarHBondContact O-CB 3.49Å; T82-W85 PolarHBondContact O-N 3.15Å; T82-W85 VanDerWaalsContact O-N 3.12Å; R83-W85 VanDerWaalsContact C-N 3.33Å; R83-W85 PolarHBondContact O-N 2.95Å; W85-K87 VanDerWaalsContact C-N 3.3Å; W85-K87 PolarHBondContact O-N 3.41Å; W85-T88 WeakPolarHBondContact O-CB 3.37Å; W85-T88 PolarHBondContact O-N 3.43Å; W85-T88 PolarHBondContact O-OG1 2.94Å; W85-W89 AromaticContact CD2-CD1 3.94Å; W85-W89 AromaticContact CD2-NE1 3.29Å; W85-W89 VanDerWaalsContact CD2-NE1 3.29Å; W85-W89 AromaticContact CE2-CD1 3.83Å; W85-W89 AromaticContact CE2-NE1 3.5Å; W85-W89 AromaticContact CE3-CE2 3.92Å; W85-W89 HydrophobicContact CE3-CZ2 4.08Å; W85-W89 AromaticContact CE3-NE1 3.14Å; W85-W89 HydrophobicContact CH2-CZ2 4.4Å; W85-W89 AromaticContact CH2-NE1 3.6Å; W85-W89 AromaticContact CZ2-NE1 3.67Å; W85-W89 AromaticContact CZ3-CE2 3.77Å; W85-W89 AromaticContact CZ3-CZ2 3.73Å; W85-W89 HydrophobicContact CZ3-CZ2 3.73Å; W85-W89 AromaticContact CZ3-NE1 3.29Å; W85-W89 VanDerWaalsContact CZ3-NE1 3.29Å; W85-W89 PolarHBondContact O-NE1 3.39Å; W85-R102 HydrophobicContact CH2-CG 3.32Å; W85-R102 HydrophobicContact CZ2-CG 4.33Å; W85-R102 HydrophobicContact CZ3-CG 3.75Å; W85-R102 VanDerWaalsContact CZ3-O 3.32Å; W85-R102 WeakPolarHBondContact CZ3-O 3.35Å; W85-Y106 HydrophobicContact CB-CD1 4.27Å; W85-Y106 HydrophobicContact CB-CE1 3.74Å; W85-Y106 HydrophobicContact CB-CE2 4.45Å; W85-Y106 HydrophobicContact CD2-CD1 4.08Å; W85-Y106 AromaticContact CD2-CD2 3.65Å; W85-Y106 HydrophobicContact CD2-CD2 3.65Å; W85-Y106 HydrophobicContact CD2-CE1 4.22Å; W85-Y106 AromaticContact CD2-CE2 3.83Å; W85-Y106 HydrophobicContact CD2-CE2 3.83Å; W85-Y106 AromaticContact CD2-CG 3.8Å; W85-Y106 HydrophobicContact CD2-CG 3.8Å; W85-Y106 AromaticContact CE2-CD2 3.77Å; W85-Y106 AromaticContact CE2-CE2 3.96Å; W85-Y106 AromaticContact CE3-CD1 3.79Å; W85-Y106 HydrophobicContact CE3-CD1 3.79Å; W85-Y106 AromaticContact CE3-CD2 3.79Å; W85-Y106 HydrophobicContact CE3-CD2 3.79Å; W85-Y106 HydrophobicContact CE3-CE1 4.36Å; W85-Y106 HydrophobicContact CE3-CE2 4.38Å; W85-Y106 AromaticContact CE3-CG 3.47Å; W85-Y106 HydrophobicContact CE3-CG 3.47Å; W85-Y106 VanDerWaalsContact CE3-CG 3.47Å; W85-Y106 HydrophobicContact CG-CD1 4.31Å; W85-Y106 HydrophobicContact CG-CD2 4.17Å; W85-Y106 AromaticContact CG-CE1 3.98Å; W85-Y106 HydrophobicContact CG-CE1 3.98Å; W85-Y106 AromaticContact CG-CE2 3.86Å; W85-Y106 HydrophobicContact CG-CE2 3.86Å; W85-Y106 HydrophobicContact CG-CG 4.4Å; W85-Y106 AromaticContact CG-CZ 3.77Å; W85-Y106 HydrophobicContact CH2-CD2 4.02Å; W85-Y106 HydrophobicContact CH2-CG 4.18Å; W85-Y106 AromaticContact CZ2-CD2 3.97Å; W85-Y106 HydrophobicContact CZ2-CD2 3.97Å; W85-Y106 HydrophobicContact CZ3-CD1 4.41Å; W85-Y106 AromaticContact CZ3-CD2 3.98Å; W85-Y106 HydrophobicContact CZ3-CD2 3.98Å; W85-Y106 AromaticContact CZ3-CG 3.69Å; W85-Y106 HydrophobicContact CZ3-CG 3.69Å
86	V	97.4	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-53.9	-46.9	175	171.8	0	0	0	0	111.5	T82 R83 T88 W89 L90 L103 F168	T82-V86 HydrophobicContact CG2-CG2 4.38Å; T82-V86 VanDerWaalsContact O-CG2 3.26Å; T82-V86 WeakPolarHBondContact O-CG2 3.29Å; T82-V86 PolarHBondContact O-N 2.88Å; R83-V86 PolarHBondContact O-N 3.17Å; V86-T88 PolarHBondContact O-N 3.03Å; V86-W89 HydrophobicContact CB-CZ2 4.17Å; V86-W89 HydrophobicContact CG1-CH2 4.33Å; V86-W89 HydrophobicContact CG1-CZ2 4.22Å; V86-W89 HydrophobicContact CG2-CZ2 3.85Å; V86-W89 PolarHBondContact O-N 2.83Å; V86-L90 HydrophobicContact CG1-CB 4.04Å; V86-L90 HydrophobicContact CG1-CD1 3.79Å; V86-L90 VanDerWaalsContact O-CB 3.27Å; V86-L90 WeakPolarHBondContact O-CB 3.36Å; V86-L90 PolarHBondContact O-N 2.83Å; V86-L103 HydrophobicContact CB-CD1 4.5Å; V86-L103 HydrophobicContact CG1-CD1 4.34Å; V86-L103 HydrophobicContact CG2-CB 4.01Å; V86-L103 HydrophobicContact CG2-CD1 3.46Å; V86-L103 VanDerWaalsContact CG2-CD1 3.46Å; V86-L103 HydrophobicContact CG2-CG 3.56Å; V86-F168 HydrophobicContact CG1-CZ 4.32Å
87	K	95.6	Very high	98	Very high	85 Å²	85	35.9 Å²	35.9	37%	0.37	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-14	178.8	-72.3	173.6	178.7	175.6	0	114.1	R83 Y84 W85 F168 D380	R83-K87 WeakPolarHBondContact O-CG 3.37Å; R83-K87 PolarHBondContact O-N 3.07Å; R83-K87 VanDerWaalsContact O-N 3.1Å; Y84-K87 PolarHBondContact O-N 2.92Å; W85-K87 VanDerWaalsContact C-N 3.3Å; W85-K87 PolarHBondContact O-N 3.41Å; K87-F168 HydrophobicContact CD-CE2 4.31Å; K87-F168 VanDerWaalsContact CE-CD2 3.44Å; K87-F168 HydrophobicContact CG-CE2 3.94Å; K87-F168 HydrophobicContact CG-CZ 4.31Å; K87-D380 IonicContact NZ-OD2 3.24Å; K87-D380 PolarHBondContact NZ-OD2 2.96Å
88	T	96.2	Very high	98	Very high	50 Å²	50	38.4 Å²	38.4	31%	0.307	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-18.4	178.6	70.8	0	0	0	0	114.9	K20 Y84 W85 V86	K20-T88 HydrophobicContact CD-CG2 4.12Å; Y84-T88 HydrophobicContact CE1-CG2 4.38Å; Y84-T88 WeakPolarHBondContact O-CG2 3.45Å; W85-T88 WeakPolarHBondContact O-CB 3.37Å; W85-T88 PolarHBondContact O-N 3.43Å; W85-T88 PolarHBondContact O-OG1 2.94Å; V86-T88 PolarHBondContact O-N 3.03Å
89	W	96.9	Very high	98	Very high	20 Å²	20	38.4 Å²	38.4	8%	0.076	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.9	-18	-173.3	56.5	-105.4	0	0	0	114.2	W85 V86 Q91 M94 I99 R102	W85-W89 AromaticContact CD2-CD1 3.94Å; W85-W89 AromaticContact CD2-NE1 3.29Å; W85-W89 VanDerWaalsContact CD2-NE1 3.29Å; W85-W89 AromaticContact CE2-CD1 3.83Å; W85-W89 AromaticContact CE2-NE1 3.5Å; W85-W89 AromaticContact CE3-CE2 3.92Å; W85-W89 HydrophobicContact CE3-CZ2 4.08Å; W85-W89 AromaticContact CE3-NE1 3.14Å; W85-W89 HydrophobicContact CH2-CZ2 4.4Å; W85-W89 AromaticContact CH2-NE1 3.6Å; W85-W89 AromaticContact CZ2-NE1 3.67Å; W85-W89 AromaticContact CZ3-CE2 3.77Å; W85-W89 AromaticContact CZ3-CZ2 3.73Å; W85-W89 HydrophobicContact CZ3-CZ2 3.73Å; W85-W89 AromaticContact CZ3-NE1 3.29Å; W85-W89 VanDerWaalsContact CZ3-NE1 3.29Å; W85-W89 PolarHBondContact O-NE1 3.39Å; V86-W89 HydrophobicContact CB-CZ2 4.17Å; V86-W89 HydrophobicContact CG1-CH2 4.33Å; V86-W89 HydrophobicContact CG1-CZ2 4.22Å; V86-W89 HydrophobicContact CG2-CZ2 3.85Å; V86-W89 PolarHBondContact O-N 2.83Å; W89-Q91 PolarHBondContact O-N 2.85Å; W89-M94 HydrophobicContact CE3-CE 3.62Å; W89-M94 HydrophobicContact CE3-SD 3.76Å; W89-M94 HydrophobicContact CZ3-CE 3.56Å; W89-M94 HydrophobicContact CZ3-SD 4Å; W89-I99 HydrophobicContact CH2-CG2 4.08Å; W89-I99 HydrophobicContact CZ3-CB 4.39Å; W89-I99 HydrophobicContact CZ3-CG1 4.23Å; W89-I99 HydrophobicContact CZ3-CG2 4.18Å; W89-R102 HydrophobicContact CH2-CB 4.1Å; W89-R102 HydrophobicContact CH2-CG 4.12Å; W89-R102 HydrophobicContact CZ2-CB 4.19Å; W89-R102 HydrophobicContact CZ2-CG 3.78Å
90	L	97.9	Very high	98	Very high	14 Å²	14	38.4 Å²	38.4	7%	0.073	20%	0.196	C	C	.	.			trans	-64.3	118.6	179.8	-177.6	139.6	0	0	0	109.6	V86 I99 L145 V153 V170 F172	V86-L90 HydrophobicContact CG1-CB 4.04Å; V86-L90 HydrophobicContact CG1-CD1 3.79Å; V86-L90 VanDerWaalsContact O-CB 3.27Å; V86-L90 WeakPolarHBondContact O-CB 3.36Å; V86-L90 PolarHBondContact O-N 2.83Å; L90-I99 HydrophobicContact CD1-CD1 4.42Å; L90-I99 HydrophobicContact CD1-CG2 3.68Å; L90-L145 HydrophobicContact CD2-CD2 4.06Å; L90-L145 HydrophobicContact CG-CD2 4.22Å; L90-V153 HydrophobicContact CD1-CG2 4.24Å; L90-V170 HydrophobicContact CD2-CB 3.99Å; L90-V170 HydrophobicContact CD2-CG1 3.45Å; L90-V170 VanDerWaalsContact CD2-CG1 3.45Å; L90-V170 HydrophobicContact CD2-CG2 4.09Å; L90-F172 HydrophobicContact CD2-CE2 4.44Å; L90-F172 HydrophobicContact CD2-CZ 3.68Å; L90-F172 WeakPolarHBondContact O-CE1 3.43Å
91	Q	98.2	Very high	98	Very high	117 Å²	117	40.8 Å²	40.8	55%	0.547	21%	0.208	S	C	.	.			trans	-151.2	157.4	-173.9	65.2	-173.8	-9.2	0	0	111.3	W89 M94 F172	W89-Q91 PolarHBondContact O-N 2.85Å; Q91-M94 HydrophobicContact CG-CG 4.22Å; Q91-M94 HydrophobicContact CG-SD 4.14Å; Q91-M94 WeakPolarHBondContact O-CG 3.12Å; Q91-F172 VanDerWaalsContact CA-CZ 3.5Å
92	P	98.8	Very high	98	Very high	44 Å²	44	44.3 Å²	44.3	29%	0.286	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	150.1	172.6	-24.3	36.9	0	0	0	112.1	L145 Y147 F172	P92-L145 CarbonylContact C-O 3.5Å; P92-L145 VanDerWaalsContact CA-O 3.27Å; P92-L145 WeakPolarHBondContact CA-O 3.38Å; P92-Y147 HydrophobicContact CG-CD2 4.48Å; P92-F172 VanDerWaalsContact CD-CZ 3.5Å; P92-F172 HydrophobicContact CG-CB 4.29Å; P92-F172 HydrophobicContact CG-CD1 4.2Å; P92-F172 HydrophobicContact CG-CD2 3.42Å; P92-F172 VanDerWaalsContact CG-CD2 3.42Å; P92-F172 HydrophobicContact CG-CE1 4.4Å; P92-F172 HydrophobicContact CG-CE2 3.66Å; P92-F172 HydrophobicContact CG-CG 3.7Å; P92-F172 HydrophobicContact CG-CZ 4.14Å
93	G	98.7	Very high	98	Very high	60 Å²	60	44.3 Å²	44.3	62%	0.619	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.1	-8.7	-177.7	0	0	0	0	0	114.4	V144 L145	G93-V144 VanDerWaalsContact C-CG1 3.48Å; G93-L145 PolarHBondContact N-O 2.97Å
94	M	98.8	Very high	98	Very high	29 Å²	29	44.3 Å²	44.3	14%	0.143	22%	0.221	C	C	.	.			trans	-83.3	141.8	172.7	-63	-175.4	68.3	0	0	111.2	W89 Q91 I99 V144 L145	W89-M94 HydrophobicContact CE3-CE 3.62Å; W89-M94 HydrophobicContact CE3-SD 3.76Å; W89-M94 HydrophobicContact CZ3-CE 3.56Å; W89-M94 HydrophobicContact CZ3-SD 4Å; Q91-M94 HydrophobicContact CG-CG 4.22Å; Q91-M94 HydrophobicContact CG-SD 4.14Å; Q91-M94 WeakPolarHBondContact O-CG 3.12Å; M94-I99 HydrophobicContact CB-CD1 3.97Å; M94-I99 HydrophobicContact CB-CG1 3.81Å; M94-I99 HydrophobicContact CE-CG1 4.05Å; M94-I99 HydrophobicContact SD-CG1 4.32Å; M94-V144 WeakPolarHBondContact O-CA 3.4Å; M94-L145 PolarHBondContact O-N 3.3Å
95	K	98.8	Very high	98.1	Very high	73 Å²	73	44.3 Å²	44.3	32%	0.317	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-69.7	145.9	169	-66.9	-173	174.1	-167.5	0	110.2	I97 D98 I99 D142 T143 V144	K95-I97 HydrophobicContact CB-CG2 4.01Å; K95-I97 HydrophobicContact CD-CG2 4.41Å; K95-I97 PolarHBondContact O-N 3.47Å; K95-D98 HydrophobicContact CB-CB 4.49Å; K95-D98 WeakPolarHBondContact CB-OD2 3.47Å; K95-D98 PolarHBondContact O-N 3.12Å; K95-D98 VanDerWaalsContact O-N 3.14Å; K95-I99 WeakPolarHBondContact O-CG1 3.23Å; K95-I99 PolarHBondContact O-N 2.9Å; K95-I99 VanDerWaalsContact O-N 3.11Å; K95-D142 IonicContact NZ-OD1 2.67Å; K95-D142 PolarHBondContact NZ-OD1 3.46Å; K95-T143 CarbonylContact C-O 3.58Å; K95-T143 VanDerWaalsContact CA-O 3.32Å; K95-T143 WeakPolarHBondContact CA-O 3.26Å; K95-V144 HydrophobicContact CG-CG2 4.04Å
96	M	98.9	Very high	98.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.6	-35.7	177.5	-56.3	-45.1	-65.2	0	0	111.5	I99 C100 V126 L128 Y135 P137 T143 L145	M96-I99 HydrophobicContact CE-CD1 4.24Å; M96-I99 PolarHBondContact O-N 2.67Å; M96-I99 HydrophobicContact SD-CD1 4.12Å; M96-C100 PolarHBondContact O-N 3.33Å; M96-C100 PolarHBondContact O-SG 2.76Å; M96-C100 VanDerWaalsContact O-SG 3.4Å; M96-V126 HydrophobicContact CB-CG2 4.32Å; M96-V126 HydrophobicContact CE-CB 3.47Å; M96-V126 VanDerWaalsContact CE-CB 3.47Å; M96-V126 HydrophobicContact CE-CG1 4.34Å; M96-V126 HydrophobicContact CE-CG2 3.55Å; M96-V126 WeakPolarHBondContact CE-O 3.37Å; M96-L128 HydrophobicContact CE-CD1 4.27Å; M96-L128 HydrophobicContact CE-CD2 3.83Å; M96-L128 HydrophobicContact CE-CG 4.2Å; M96-L128 HydrophobicContact CG-CD1 4.37Å; M96-L128 HydrophobicContact SD-CD1 3.98Å; M96-L128 HydrophobicContact SD-CD2 4.36Å; M96-Y135 HydrophobicContact CG-CE1 4.31Å; M96-P137 HydrophobicContact CB-CB 4.32Å; M96-P137 HydrophobicContact CB-CG 4.02Å; M96-T143 HydrophobicContact CG-CG2 3.71Å; M96-T143 WeakPolarHBondContact CG-O 3.37Å; M96-T143 PolarHBondContact N-O 2.9Å; M96-L145 HydrophobicContact SD-CB 3.86Å
97	I	98.7	Very high	98.1	Very high	31 Å²	31	43.4 Å²	43.4	16%	0.159	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-43.4	178.2	-162.8	166.3	0	0	0	111.8	K95 I99 C100 E101 P137	K95-I97 HydrophobicContact CB-CG2 4.01Å; K95-I97 HydrophobicContact CD-CG2 4.41Å; K95-I97 PolarHBondContact O-N 3.47Å; I97-I99 VanDerWaalsContact C-N 3.31Å; I97-I99 PolarHBondContact O-N 3.23Å; I97-C100 PolarHBondContact O-N 2.93Å; I97-E101 HydrophobicContact CG1-CG 4.38Å; I97-E101 WeakPolarHBondContact O-CB 3.19Å; I97-E101 WeakPolarHBondContact O-CG 3.42Å; I97-E101 PolarHBondContact O-N 2.85Å; I97-P137 HydrophobicContact CB-CB 4.29Å; I97-P137 HydrophobicContact CB-CG 4.09Å; I97-P137 HydrophobicContact CG1-CG 4.49Å
98	D	98.6	Very high	98.3	Very high	79 Å²	79	40.5 Å²	40.5	42%	0.422	21%	0.21	S	C	.	.	H	α-helix	trans	-64.8	-38.2	178.3	-58.9	-28.8	0	0	0	111	K95 R102	K95-D98 HydrophobicContact CB-CB 4.49Å; K95-D98 WeakPolarHBondContact CB-OD2 3.47Å; K95-D98 PolarHBondContact O-N 3.12Å; K95-D98 VanDerWaalsContact O-N 3.14Å; D98-R102 WeakPolarHBondContact O-CB 3.27Å; D98-R102 PolarHBondContact O-N 3.19Å
99	I	98.8	Very high	98.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-52.9	175.4	-65.4	170.3	0	0	0	110.1	W89 L90 M94 K95 M96 I97 L103 V126 L145	W89-I99 HydrophobicContact CH2-CG2 4.08Å; W89-I99 HydrophobicContact CZ3-CB 4.39Å; W89-I99 HydrophobicContact CZ3-CG1 4.23Å; W89-I99 HydrophobicContact CZ3-CG2 4.18Å; L90-I99 HydrophobicContact CD1-CD1 4.42Å; L90-I99 HydrophobicContact CD1-CG2 3.68Å; M94-I99 HydrophobicContact CB-CD1 3.97Å; M94-I99 HydrophobicContact CB-CG1 3.81Å; M94-I99 HydrophobicContact CE-CG1 4.05Å; M94-I99 HydrophobicContact SD-CG1 4.32Å; K95-I99 WeakPolarHBondContact O-CG1 3.23Å; K95-I99 PolarHBondContact O-N 2.9Å; K95-I99 VanDerWaalsContact O-N 3.11Å; M96-I99 HydrophobicContact CE-CD1 4.24Å; M96-I99 PolarHBondContact O-N 2.67Å; M96-I99 HydrophobicContact SD-CD1 4.12Å; I97-I99 VanDerWaalsContact C-N 3.31Å; I97-I99 PolarHBondContact O-N 3.23Å; I99-L103 WeakPolarHBondContact O-CB 3.41Å; I99-L103 PolarHBondContact O-N 3.49Å; I99-V126 HydrophobicContact CG2-CG1 4.32Å; I99-L145 HydrophobicContact CD1-CB 4.08Å; I99-L145 HydrophobicContact CD1-CD2 3.78Å
100	C	98.9	Very high	98.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-48.8	-179.2	-68.6	0	0	0	0	111.6	M96 I97 R102 L103 E104 V126	M96-C100 PolarHBondContact O-N 3.33Å; M96-C100 PolarHBondContact O-SG 2.76Å; M96-C100 VanDerWaalsContact O-SG 3.4Å; I97-C100 PolarHBondContact O-N 2.93Å; C100-R102 VanDerWaalsContact C-N 3.35Å; C100-R102 PolarHBondContact O-N 2.6Å; C100-L103 PolarHBondContact O-N 2.96Å; C100-E104 VanDerWaalsContact O-CB 3.31Å; C100-E104 WeakPolarHBondContact O-CB 3.46Å; C100-E104 WeakPolarHBondContact O-CG 3.38Å; C100-E104 PolarHBondContact O-N 3.09Å; C100-V126 VanDerWaalsContact SG-CG2 3.55Å
101	E	98.5	Very high	98.4	Very high	79 Å²	79	41.1 Å²	41.1	37%	0.369	21%	0.205	S	C	.	.	H	α-helix	trans	-61.7	-43.1	-178.4	-72.4	-172.9	164.6	0	0	112.2	I97 E104 E105	I97-E101 HydrophobicContact CG1-CG 4.38Å; I97-E101 WeakPolarHBondContact O-CB 3.19Å; I97-E101 WeakPolarHBondContact O-CG 3.42Å; I97-E101 PolarHBondContact O-N 2.85Å; E101-E104 PolarHBondContact O-N 3.21Å; E101-E105 VanDerWaalsContact O-CB 3.32Å; E101-E105 WeakPolarHBondContact O-CB 3.45Å; E101-E105 PolarHBondContact O-N 2.85Å
102	R	97.9	Very high	98.4	Very high	84 Å²	84	39.8 Å²	39.8	32%	0.317	20%	0.198	S	C	.	.	H	α-helix	trans	-63.6	-45.9	177.8	-175.8	173.6	179.4	177.3	2.8	111.8	W85 W89 D98 C100 Y106	W85-R102 HydrophobicContact CH2-CG 3.32Å; W85-R102 HydrophobicContact CZ2-CG 4.33Å; W85-R102 HydrophobicContact CZ3-CG 3.75Å; W85-R102 VanDerWaalsContact CZ3-O 3.32Å; W85-R102 WeakPolarHBondContact CZ3-O 3.35Å; W89-R102 HydrophobicContact CH2-CB 4.1Å; W89-R102 HydrophobicContact CH2-CG 4.12Å; W89-R102 HydrophobicContact CZ2-CB 4.19Å; W89-R102 HydrophobicContact CZ2-CG 3.78Å; D98-R102 WeakPolarHBondContact O-CB 3.27Å; D98-R102 PolarHBondContact O-N 3.19Å; C100-R102 VanDerWaalsContact C-N 3.35Å; C100-R102 PolarHBondContact O-N 2.6Å; R102-Y106 PolarHBondContact O-N 3.07Å
103	L	98.4	Very high	98.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-51.8	176.3	-177.3	160.4	0	0	0	110.8	T82 V86 I99 C100 E105 Y106 A107 T124 V153 F155	T82-L103 HydrophobicContact CG2-CD2 4Å; T82-L103 HydrophobicContact CG2-CG 3.97Å; V86-L103 HydrophobicContact CB-CD1 4.5Å; V86-L103 HydrophobicContact CG1-CD1 4.34Å; V86-L103 HydrophobicContact CG2-CB 4.01Å; V86-L103 HydrophobicContact CG2-CD1 3.46Å; V86-L103 VanDerWaalsContact CG2-CD1 3.46Å; V86-L103 HydrophobicContact CG2-CG 3.56Å; I99-L103 WeakPolarHBondContact O-CB 3.41Å; I99-L103 PolarHBondContact O-N 3.49Å; C100-L103 PolarHBondContact O-N 2.96Å; L103-E105 PolarHBondContact O-N 3.23Å; L103-Y106 PolarHBondContact O-N 2.79Å; L103-A107 WeakPolarHBondContact O-CB 3.41Å; L103-A107 PolarHBondContact O-N 2.85Å; L103-T124 HydrophobicContact CD1-CG2 3.78Å; L103-T124 HydrophobicContact CD2-CG2 4.07Å; L103-T124 HydrophobicContact CG-CG2 4.41Å; L103-V153 HydrophobicContact CD1-CG1 3.84Å; L103-F155 HydrophobicContact CD1-CD1 4.17Å; L103-F155 HydrophobicContact CD1-CE1 4.47Å; L103-F155 HydrophobicContact CD2-CB 4.25Å; L103-F155 HydrophobicContact CD2-CD1 4.36Å; L103-F155 HydrophobicContact CD2-CD2 3.96Å; L103-F155 HydrophobicContact CD2-CE2 4.43Å; L103-F155 HydrophobicContact CD2-CG 3.92Å
104	E	98.8	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-67.2	-35.6	-175.2	-66.4	172.4	-164.9	0	0	112.4	C100 E101 A107 R108 L120 T124 R321 W322	C100-E104 VanDerWaalsContact O-CB 3.31Å; C100-E104 WeakPolarHBondContact O-CB 3.46Å; C100-E104 WeakPolarHBondContact O-CG 3.38Å; C100-E104 PolarHBondContact O-N 3.09Å; E101-E104 PolarHBondContact O-N 3.21Å; E104-A107 PolarHBondContact O-N 3.3Å; E104-R108 WeakPolarHBondContact O-CB 3.44Å; E104-R108 VanDerWaalsContact O-CG 3.25Å; E104-R108 WeakPolarHBondContact O-CG 3.31Å; E104-R108 PolarHBondContact O-N 2.99Å; E104-R108 IonicContact OE2-CZ 3.82Å; E104-R108 IonicContact OE2-NH1 2.76Å; E104-R108 PolarHBondContact OE2-NH1 3.1Å; E104-R108 IonicContact OE2-NH2 2.79Å; E104-R108 PolarHBondContact OE2-NH2 3.48Å; E104-L120 HydrophobicContact CB-CD1 3.86Å; E104-L120 HydrophobicContact CG-CD1 3.89Å; E104-T124 VanDerWaalsContact CG-OG1 3.24Å; E104-T124 WeakPolarHBondContact CG-OG1 3.2Å; E104-R321 IonicContact OE1-CZ 2.79Å; E104-R321 VanDerWaalsContact OE1-CZ 3.29Å; E104-R321 IonicContact OE1-NH1 3.29Å; E104-R321 PolarHBondContact OE1-NH1 3.06Å; E104-R321 IonicContact OE1-NH2 3.55Å; E104-R321 PolarHBondContact OE1-NH2 3.38Å; E104-R321 IonicContact OE2-NH1 3.46Å; E104-R321 PolarHBondContact OE2-NH1 2.81Å; E104-W322 VanDerWaalsContact CD-NE1 3.3Å; E104-W322 PolarHBondContact OE1-NE1 2.82Å; E104-W322 PolarHBondContact OE2-NE1 2.81Å
105	E	97.9	Very high	98.4	Very high	136 Å²	136	45.1 Å²	45.1	64%	0.636	22%	0.219	S	C	*	.	H	α-helix	trans	-61.6	-45.7	174	-177	-178.9	173.8	0	0	111.3	E101 L103 R108 R109	E101-E105 VanDerWaalsContact O-CB 3.32Å; E101-E105 WeakPolarHBondContact O-CB 3.45Å; E101-E105 PolarHBondContact O-N 2.85Å; L103-E105 PolarHBondContact O-N 3.23Å; E105-R108 PolarHBondContact O-N 3.12Å; E105-R109 PolarHBondContact O-N 2.89Å; E105-R109 VanDerWaalsContact O-N 3.11Å
106	Y	97.5	Very high	98.3	Very high	11 Å²	11	44.3 Å²	44.3	4%	0.043	22%	0.218	C	C	.	.	H	α-helix	trans	-63.3	-44	177.5	-170.5	-95.9	0	0	0	111.7	T82 W85 R102 L103 R109 L110	T82-Y106 HydrophobicContact CG2-CD1 4.25Å; W85-Y106 HydrophobicContact CB-CD1 4.27Å; W85-Y106 HydrophobicContact CB-CE1 3.74Å; W85-Y106 HydrophobicContact CB-CE2 4.45Å; W85-Y106 HydrophobicContact CD2-CD1 4.08Å; W85-Y106 AromaticContact CD2-CD2 3.65Å; W85-Y106 HydrophobicContact CD2-CD2 3.65Å; W85-Y106 HydrophobicContact CD2-CE1 4.22Å; W85-Y106 AromaticContact CD2-CE2 3.83Å; W85-Y106 HydrophobicContact CD2-CE2 3.83Å; W85-Y106 AromaticContact CD2-CG 3.8Å; W85-Y106 HydrophobicContact CD2-CG 3.8Å; W85-Y106 AromaticContact CE2-CD2 3.77Å; W85-Y106 AromaticContact CE2-CE2 3.96Å; W85-Y106 AromaticContact CE3-CD1 3.79Å; W85-Y106 HydrophobicContact CE3-CD1 3.79Å; W85-Y106 AromaticContact CE3-CD2 3.79Å; W85-Y106 HydrophobicContact CE3-CD2 3.79Å; W85-Y106 HydrophobicContact CE3-CE1 4.36Å; W85-Y106 HydrophobicContact CE3-CE2 4.38Å; W85-Y106 AromaticContact CE3-CG 3.47Å; W85-Y106 HydrophobicContact CE3-CG 3.47Å; W85-Y106 VanDerWaalsContact CE3-CG 3.47Å; W85-Y106 HydrophobicContact CG-CD1 4.31Å; W85-Y106 HydrophobicContact CG-CD2 4.17Å; W85-Y106 AromaticContact CG-CE1 3.98Å; W85-Y106 HydrophobicContact CG-CE1 3.98Å; W85-Y106 AromaticContact CG-CE2 3.86Å; W85-Y106 HydrophobicContact CG-CE2 3.86Å; W85-Y106 HydrophobicContact CG-CG 4.4Å; W85-Y106 AromaticContact CG-CZ 3.77Å; W85-Y106 HydrophobicContact CH2-CD2 4.02Å; W85-Y106 HydrophobicContact CH2-CG 4.18Å; W85-Y106 AromaticContact CZ2-CD2 3.97Å; W85-Y106 HydrophobicContact CZ2-CD2 3.97Å; W85-Y106 HydrophobicContact CZ3-CD1 4.41Å; W85-Y106 AromaticContact CZ3-CD2 3.98Å; W85-Y106 HydrophobicContact CZ3-CD2 3.98Å; W85-Y106 AromaticContact CZ3-CG 3.69Å; W85-Y106 HydrophobicContact CZ3-CG 3.69Å; R102-Y106 PolarHBondContact O-N 3.07Å; L103-Y106 PolarHBondContact O-N 2.79Å; Y106-R109 PolarHBondContact O-N 2.98Å; Y106-L110 HydrophobicContact CD1-CD1 3.81Å; Y106-L110 HydrophobicContact CD1-CG 4.14Å; Y106-L110 HydrophobicContact CE1-CD1 3.23Å; Y106-L110 HydrophobicContact CE1-CG 3.83Å; Y106-L110 PolarHBondContact O-N 2.99Å
107	A	98.4	Very high	98.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-46.7	176.6	0	0	0	0	0	112.4	T82 L103 E104 R109 L110 V111 L120 I157	T82-A107 HydrophobicContact CG2-CB 4.02Å; L103-A107 WeakPolarHBondContact O-CB 3.41Å; L103-A107 PolarHBondContact O-N 2.85Å; E104-A107 PolarHBondContact O-N 3.3Å; A107-R109 VanDerWaalsContact C-N 3.29Å; A107-R109 PolarHBondContact O-N 2.86Å; A107-L110 PolarHBondContact O-N 3.25Å; A107-V111 WeakPolarHBondContact O-CB 3.42Å; A107-V111 WeakPolarHBondContact O-CG1 3.37Å; A107-V111 PolarHBondContact O-N 2.76Å; A107-L120 HydrophobicContact CB-CD2 3.58Å; A107-I157 HydrophobicContact CB-CD1 3.88Å
108	R	98.6	Very high	98.3	Very high	24 Å²	24	49 Å²	49	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-38.9	176.4	-75.5	-180	-172	99.6	5.1	112.6	E104 E105 K112 E113 L120	E104-R108 WeakPolarHBondContact O-CB 3.44Å; E104-R108 VanDerWaalsContact O-CG 3.25Å; E104-R108 WeakPolarHBondContact O-CG 3.31Å; E104-R108 PolarHBondContact O-N 2.99Å; E104-R108 IonicContact OE2-CZ 3.82Å; E104-R108 IonicContact OE2-NH1 2.76Å; E104-R108 PolarHBondContact OE2-NH1 3.1Å; E104-R108 IonicContact OE2-NH2 2.79Å; E104-R108 PolarHBondContact OE2-NH2 3.48Å; E105-R108 PolarHBondContact O-N 3.12Å; R108-K112 PolarHBondContact O-N 2.66Å; R108-K112 VanDerWaalsContact O-N 3.13Å; R108-E113 HydrophobicContact CB-CB 4.25Å; R108-E113 WeakPolarHBondContact CD-OE1 3.28Å; R108-E113 VanDerWaalsContact CD-OE2 3.32Å; R108-E113 WeakPolarHBondContact CD-OE2 3.13Å; R108-E113 HydrophobicContact CG-CB 4.37Å; R108-E113 WeakPolarHBondContact CG-OE1 3.29Å; R108-E113 IonicContact NE-OE1 3.2Å; R108-E113 PolarHBondContact NE-OE1 2.85Å; R108-E113 IonicContact NE-OE2 2.84Å; R108-E113 PolarHBondContact O-N 2.92Å; R108-E113 VanDerWaalsContact O-N 3.07Å; R108-L120 HydrophobicContact CG-CD1 4.21Å; R108-L120 HydrophobicContact CG-CD2 4.42Å; R108-L120 HydrophobicContact CG-CG 4.18Å
109	R	97.8	Very high	98.3	Very high	97 Å²	97	45.4 Å²	45.4	37%	0.366	22%	0.219	S	C	.	.	H	α-helix	trans	-67.5	-48.3	175.4	-176.6	178.7	65.2	-173.3	-1.5	111.7	P23 E105 Y106 A107 K112	P23-R109 VanDerWaalsContact CB-NH1 3.29Å; E105-R109 PolarHBondContact O-N 2.89Å; E105-R109 VanDerWaalsContact O-N 3.11Å; Y106-R109 PolarHBondContact O-N 2.98Å; A107-R109 VanDerWaalsContact C-N 3.29Å; A107-R109 PolarHBondContact O-N 2.86Å; R109-K112 PolarHBondContact O-N 3Å
110	L	98.3	Very high	98.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.5	-39	-178	-79.5	-167.6	0	0	0	113.1	K24 L25 P26 V27 V78 Q81 Y106 A107 K112	K24-L110 HydrophobicContact CB-CD2 3.79Å; L25-L110 WeakPolarHBondContact O-CD2 3.41Å; P26-L110 WeakPolarHBondContact CA-O 3.5Å; V27-L110 PolarHBondContact N-O 2.82Å; V78-L110 HydrophobicContact CG1-CB 3.87Å; V78-L110 HydrophobicContact CG2-CB 4.42Å; Q81-L110 HydrophobicContact CB-CD1 3.5Å; Y106-L110 HydrophobicContact CD1-CD1 3.81Å; Y106-L110 HydrophobicContact CD1-CG 4.14Å; Y106-L110 HydrophobicContact CE1-CD1 3.23Å; Y106-L110 HydrophobicContact CE1-CG 3.83Å; Y106-L110 PolarHBondContact O-N 2.99Å; A107-L110 PolarHBondContact O-N 3.25Å; L110-K112 VanDerWaalsContact C-N 3.25Å; L110-K112 PolarHBondContact O-N 2.69Å
111	V	98.5	Very high	98.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-73.5	-21.5	177.3	80.1	0	0	0	0	112.1	R74 V78 A107 E113 A118 I157 I159	R74-V111 PolarHBondContact NH2-O 3.33Å; V78-V111 HydrophobicContact CG1-CB 4.04Å; V78-V111 HydrophobicContact CG2-CB 4.16Å; V78-V111 HydrophobicContact CG2-CG2 4.29Å; A107-V111 WeakPolarHBondContact O-CB 3.42Å; A107-V111 WeakPolarHBondContact O-CG1 3.37Å; A107-V111 PolarHBondContact O-N 2.76Å; V111-E113 HydrophobicContact CG1-CB 4.25Å; V111-A118 HydrophobicContact CG2-CB 4.25Å; V111-I157 HydrophobicContact CB-CG2 4.23Å; V111-I157 HydrophobicContact CG2-CG2 3.55Å; V111-I159 HydrophobicContact CG2-CD1 3.61Å
112	K	98.2	Very high	98.4	Very high	89 Å²	89	43.4 Å²	43.4	39%	0.387	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	67.5	-169.5	-165.9	177.2	-175.2	164.4	0	110.4	P26 D28 E29 R108 R109 L110 D114	P26-K112 HydrophobicContact CB-CB 4.11Å; P26-K112 HydrophobicContact CB-CD 4.3Å; P26-K112 HydrophobicContact CG-CB 4.49Å; D28-K112 VanDerWaalsContact OD2-CD 3.26Å; D28-K112 WeakPolarHBondContact OD2-CD 3.31Å; D28-K112 IonicContact OD2-NZ 3.45Å; D28-K112 PolarHBondContact OD2-NZ 3Å; E29-K112 IonicContact OE1-NZ 3.63Å; E29-K112 PolarHBondContact OE1-NZ 3.27Å; R108-K112 PolarHBondContact O-N 2.66Å; R108-K112 VanDerWaalsContact O-N 3.13Å; R109-K112 PolarHBondContact O-N 3Å; L110-K112 VanDerWaalsContact C-N 3.25Å; L110-K112 PolarHBondContact O-N 2.69Å; K112-D114 PolarHBondContact O-N 3.41Å
113	E	98.6	Very high	98.4	Very high	103 Å²	103	39.4 Å²	39.4	48%	0.481	20%	0.195	S	C	.	.			trans	-48.7	124.3	-175.6	-170.2	179.1	-119.7	0	0	111.7	R108 V111 A118	R108-E113 HydrophobicContact CB-CB 4.25Å; R108-E113 WeakPolarHBondContact CD-OE1 3.28Å; R108-E113 VanDerWaalsContact CD-OE2 3.32Å; R108-E113 WeakPolarHBondContact CD-OE2 3.13Å; R108-E113 HydrophobicContact CG-CB 4.37Å; R108-E113 WeakPolarHBondContact CG-OE1 3.29Å; R108-E113 IonicContact NE-OE1 3.2Å; R108-E113 PolarHBondContact NE-OE1 2.85Å; R108-E113 IonicContact NE-OE2 2.84Å; R108-E113 PolarHBondContact O-N 2.92Å; R108-E113 VanDerWaalsContact O-N 3.07Å; V111-E113 HydrophobicContact CG1-CB 4.25Å; E113-A118 CarbonylContact C-O 3.53Å; E113-A118 VanDerWaalsContact CA-O 3.29Å; E113-A118 WeakPolarHBondContact CA-O 3.4Å
114	D	98.4	Very high	98.4	Very high	89 Å²	89	39.5 Å²	39.5	48%	0.476	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-143.2	77	-177.9	-178.9	19.2	0	0	0	110	K112 L116 K117 A118	K112-D114 PolarHBondContact O-N 3.41Å; D114-L116 PolarHBondContact O-N 2.9Å; D114-K117 WeakPolarHBondContact O-CB 3.45Å; D114-K117 PolarHBondContact O-N 2.82Å; D114-K117 WeakPolarHBondContact OD2-CD 3.42Å; D114-K117 IonicContact OD2-NZ 2.88Å; D114-A118 PolarHBondContact N-O 2.7Å
115	G	97.5	Very high	98.5	Very high	52 Å²	52	39.7 Å²	39.7	54%	0.536	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	-128.1	-179.1	0	0	0	0	0	111.9	K117	G115-K117 VanDerWaalsContact C-N 3.33Å
116	L	98.3	Very high	98.5	Very high	56 Å²	56	33.2 Å²	33.2	29%	0.293	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-3.6	177.4	-62	179	0	0	0	113.8	D114 H158 Y239 N312 F313	D114-L116 PolarHBondContact O-N 2.9Å; L116-H158 PolarHBondContact O-CE1 3.41Å; L116-H158 VanDerWaalsContact O-CE1 3.23Å; L116-Y239 HydrophobicContact CB-CE1 4.27Å; L116-Y239 VanDerWaalsContact O-CE1 3.23Å; L116-Y239 WeakPolarHBondContact O-CE1 3.43Å; L116-Y239 PolarHBondContact O-OH 2.83Å; L116-Y239 VanDerWaalsContact O-OH 3.08Å; L116-N312 WeakPolarHBondContact CD2-O 3.37Å; L116-F313 VanDerWaalsContact CD2-C 3.48Å
117	K	98.7	Very high	98.6	Very high	126 Å²	126	32.8 Å²	32.8	55%	0.548	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-34.6	-179.7	-66.3	177.4	-176.1	167.6	0	112.6	D114 G115 I159 N160	D114-K117 WeakPolarHBondContact O-CB 3.45Å; D114-K117 PolarHBondContact O-N 2.82Å; D114-K117 WeakPolarHBondContact OD2-CD 3.42Å; D114-K117 IonicContact OD2-NZ 2.88Å; G115-K117 VanDerWaalsContact C-N 3.33Å; K117-I159 CarbonylContact O-C 3.55Å; K117-I159 WeakPolarHBondContact O-CA 3.46Å; K117-N160 PolarHBondContact O-N 3.46Å
118	A	98.8	Very high	98.6	Very high	5 Å²	5	33.8 Å²	33.8	4%	0.041	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	132.2	-178.8	0	0	0	0	0	108.9	V111 E113 D114 H158 I159	V111-A118 HydrophobicContact CG2-CB 4.25Å; E113-A118 CarbonylContact C-O 3.53Å; E113-A118 VanDerWaalsContact CA-O 3.29Å; E113-A118 WeakPolarHBondContact CA-O 3.4Å; D114-A118 PolarHBondContact N-O 2.7Å; A118-H158 WeakPolarHBondContact CA-O 3.48Å; A118-I159 HydrophobicContact CB-CD1 3.76Å
119	G	98.8	Very high	98.6	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-167.2	-174.7	0	0	0	0	0	114.2	H158	G119-H158 PolarHBondContact N-NE2 3.07Å; G119-H158 PolarHBondContact N-O 3.48Å; G119-H158 VanDerWaalsContact N-O 3.16Å; G119-H158 PolarHBondContact O-CD2 3Å; G119-H158 PolarHBondContact O-N 2.97Å
120	L	98.9	Very high	98.7	Very high	15 Å²	15	31.2 Å²	31.2	8%	0.079	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	133	172.5	-51.1	-176.7	0	0	0	109.2	E104 A107 R108 G156 I157 W322	E104-L120 HydrophobicContact CB-CD1 3.86Å; E104-L120 HydrophobicContact CG-CD1 3.89Å; A107-L120 HydrophobicContact CB-CD2 3.58Å; R108-L120 HydrophobicContact CG-CD1 4.21Å; R108-L120 HydrophobicContact CG-CD2 4.42Å; R108-L120 HydrophobicContact CG-CG 4.18Å; L120-G156 CarbonylContact C-O 3.29Å; L120-G156 WeakPolarHBondContact CA-O 3.49Å; L120-I157 HydrophobicContact CD2-CD1 3.71Å; L120-W322 HydrophobicContact CB-CH2 3.57Å; L120-W322 HydrophobicContact CB-CZ2 3.99Å; L120-W322 HydrophobicContact CB-CZ3 4.4Å; L120-W322 HydrophobicContact CD1-CH2 4.04Å; L120-W322 HydrophobicContact CD1-CZ2 3.55Å; L120-W322 HydrophobicContact CG-CH2 4.46Å; L120-W322 HydrophobicContact CG-CZ2 4.43Å
121	A	98.9	Very high	98.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-30.8	-176.1	0	0	0	0	0	113.3	G156 H158 I163 L316 G317	A121-G156 PolarHBondContact N-O 2.87Å; A121-H158 HydrophobicContact CB-CB 4.13Å; A121-I163 HydrophobicContact CB-CB 4.22Å; A121-I163 HydrophobicContact CB-CG1 3.95Å; A121-I163 HydrophobicContact CB-CG2 3.42Å; A121-I163 VanDerWaalsContact CB-CG2 3.42Å; A121-L316 HydrophobicContact CB-CD2 4.49Å; A121-L316 WeakPolarHBondContact O-CB 3.24Å; A121-G317 PolarHBondContact O-N 2.85Å
122	F	98.9	Very high	98.7	Very high	22 Å²	22	31.4 Å²	31.4	10%	0.096	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	162.6	177.5	53.2	-97.8	0	0	0	109.6	D154 I163 D165 I241 W322	F122-D154 VanDerWaalsContact CE2-OD1 3.31Å; F122-D154 WeakPolarHBondContact CE2-OD1 3.32Å; F122-I163 HydrophobicContact CD1-CG2 4.45Å; F122-I163 HydrophobicContact CE1-CG2 4.16Å; F122-D165 HydrophobicContact CE1-CB 4.14Å; F122-D165 HydrophobicContact CZ-CB 4.31Å; F122-D165 WeakPolarHBondContact CZ-OD1 3.49Å; F122-I241 HydrophobicContact CD1-CD1 3.79Å; F122-I241 HydrophobicContact CD1-CG1 4.1Å; F122-I241 HydrophobicContact CE1-CD1 3.69Å; F122-I241 HydrophobicContact CE1-CG1 4.35Å; F122-W322 WeakPolarHBondContact O-CH2 3.29Å
123	P	98.9	Very high	98.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	151.9	-175.1	-20.2	32.3	0	0	0	113.5	G125 T136 F318 C319 W322	P123-G125 PolarHBondContact O-N 3.34Å; P123-T136 HydrophobicContact CB-CG2 4.05Å; P123-F318 WeakPolarHBondContact CG-O 3.47Å; P123-C319 HydrophobicContact CB-CB 3.76Å; P123-C319 HydrophobicContact CG-CB 3.57Å; P123-W322 HydrophobicContact CB-CH2 4.44Å; P123-W322 HydrophobicContact CB-CZ2 4.21Å; P123-W322 HydrophobicContact CG-CH2 4.31Å; P123-W322 HydrophobicContact CG-CZ2 4.48Å; P123-W322 HydrophobicContact CG-CZ3 4.4Å
124	T	98.9	Very high	98.7	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	100.8	175.8	-56.8	0	0	0	0	110.8	L103 E104 V126 T136 D154 F155	L103-T124 HydrophobicContact CD1-CG2 3.78Å; L103-T124 HydrophobicContact CD2-CG2 4.07Å; L103-T124 HydrophobicContact CG-CG2 4.41Å; E104-T124 VanDerWaalsContact CG-OG1 3.24Å; E104-T124 WeakPolarHBondContact CG-OG1 3.2Å; T124-V126 HydrophobicContact CG2-CG1 4.03Å; T124-T136 WeakPolarHBondContact O-CB 3.31Å; T124-T136 PolarHBondContact O-OG1 3Å; T124-D154 CarbonylContact C-O 3.53Å; T124-D154 WeakPolarHBondContact CA-O 3.41Å; T124-F155 HydrophobicContact CG2-CB 4.25Å
125	G	98.9	Very high	98.8	Very high	4 Å²	4	21.5 Å²	21.5	4%	0.041	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	129.7	166.1	0	0	0	0	0	110.9	P123 Y135 K152 V153 D154	P123-G125 PolarHBondContact O-N 3.34Å; G125-Y135 CarbonylContact C-O 3.59Å; G125-Y135 WeakPolarHBondContact CA-O 3.46Å; G125-K152 CarbonylContact C-O 3.59Å; G125-V153 WeakPolarHBondContact O-CA 3.32Å; G125-D154 WeakPolarHBondContact CA-O 3.35Å; G125-D154 PolarHBondContact N-O 2.75Å; G125-D154 PolarHBondContact O-N 3.26Å
126	V	98.9	Very high	98.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	41.2	177.1	-70.5	0	0	0	0	110.2	M96 I99 C100 T124 L128 Y135 K152	M96-V126 HydrophobicContact CB-CG2 4.32Å; M96-V126 HydrophobicContact CE-CB 3.47Å; M96-V126 VanDerWaalsContact CE-CB 3.47Å; M96-V126 HydrophobicContact CE-CG1 4.34Å; M96-V126 HydrophobicContact CE-CG2 3.55Å; M96-V126 WeakPolarHBondContact CE-O 3.37Å; I99-V126 HydrophobicContact CG2-CG1 4.32Å; C100-V126 VanDerWaalsContact SG-CG2 3.55Å; T124-V126 HydrophobicContact CG2-CG1 4.03Å; V126-L128 PolarHBondContact O-N 3.06Å; V126-Y135 HydrophobicContact CG2-CD1 4.08Å; V126-Y135 HydrophobicContact CG2-CE1 3.97Å; V126-Y135 PolarHBondContact N-O 2.62Å; V126-Y135 WeakPolarHBondContact O-CD1 3.14Å; V126-K152 CarbonylContact C-O 3.55Å; V126-K152 WeakPolarHBondContact CA-O 3.36Å
127	S	98.9	Very high	98.9	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.014	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	131.8	-171.5	-52.6	0	0	0	0	111.6	C131 A133 Y135 C151 K152	S127-C131 WeakPolarHBondContact CB-O 3.17Å; S127-A133 WeakPolarHBondContact OG-CA 3.14Å; S127-A133 PolarHBondContact OG-O 3.02Å; S127-Y135 PolarHBondContact OG-N 3.19Å; S127-C151 WeakPolarHBondContact O-CA 3.39Å; S127-K152 PolarHBondContact N-O 3.01Å; S127-K152 WeakPolarHBondContact O-CE 3.4Å; S127-K152 PolarHBondContact O-N 2.83Å; S127-K152 PolarHBondContact O-NZ 3.4Å
128	L	98.9	Very high	98.9	Very high	20 Å²	20	10.8 Å²	10.8	11%	0.105	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.9	-173.7	-60.5	-179.4	0	0	0	112.6	M96 V126 H130 C131 T143 L145 D149 C151	M96-L128 HydrophobicContact CE-CD1 4.27Å; M96-L128 HydrophobicContact CE-CD2 3.83Å; M96-L128 HydrophobicContact CE-CG 4.2Å; M96-L128 HydrophobicContact CG-CD1 4.37Å; M96-L128 HydrophobicContact SD-CD1 3.98Å; M96-L128 HydrophobicContact SD-CD2 4.36Å; V126-L128 PolarHBondContact O-N 3.06Å; L128-H130 PolarHBondContact O-N 3.01Å; L128-C131 VanDerWaalsContact O-CB 3.32Å; L128-C131 WeakPolarHBondContact O-CB 3.34Å; L128-C131 PolarHBondContact O-N 3.1Å; L128-T143 HydrophobicContact CD1-CG2 3.8Å; L128-L145 HydrophobicContact CD2-CD1 3.85Å; L128-D149 HydrophobicContact CD2-CB 4.32Å; L128-C151 HydrophobicContact CD2-CB 3.65Å
129	N	98.8	Very high	98.8	Very high	31 Å²	31	13.8 Å²	13.8	17%	0.166	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-114.7	167.6	-56.9	-37.9	0	0	0	113.1	C131 D149 V150 K152 Y357 T358	N129-C131 VanDerWaalsContact C-N 3.27Å; N129-C131 PolarHBondContact O-N 3.36Å; N129-D149 PolarHBondContact ND2-OD1 3.03Å; N129-D149 VanDerWaalsContact OD1-CA 3.27Å; N129-D149 WeakPolarHBondContact OD1-CA 3.12Å; N129-V150 PolarHBondContact N-O 3.37Å; N129-V150 PolarHBondContact OD1-N 3.28Å; N129-K152 PolarHBondContact O-NZ 3.24Å; N129-K152 VanDerWaalsContact O-NZ 3.12Å; N129-Y357 HydrophobicContact CB-CD1 4.49Å; N129-T358 PolarHBondContact O-N 2.89Å; N129-T358 PolarHBondContact O-OG1 2.95Å
130	H	98.9	Very high	98.8	Very high	37 Å²	37	17 Å²	17	17%	0.171	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.4	177.3	62.9	-66.1	0	0	0	113.8	L128 A132 C351 D352 S356	L128-H130 PolarHBondContact O-N 3.01Å; H130-A132 PolarHBondContact O-N 2.96Å; H130-C351 CarbonylContact O-C 3.56Å; H130-C351 WeakPolarHBondContact O-CA 3.38Å; H130-D352 PolarHBondContact O-N 2.88Å; H130-S356 WeakPolarHBondContact CA-O 3.36Å; H130-S356 WeakPolarHBondContact CB-O 3.24Å; H130-S356 PolarHBondContact N-O 3.29Å
131	C	98.9	Very high	98.7	Very high	3 Å²	3	18 Å²	18	2%	0.02	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.5	171.4	-174.3	0	0	0	0	109.3	S127 L128 N129 K152 M281 C351	S127-C131 WeakPolarHBondContact CB-O 3.17Å; L128-C131 VanDerWaalsContact O-CB 3.32Å; L128-C131 WeakPolarHBondContact O-CB 3.34Å; L128-C131 PolarHBondContact O-N 3.1Å; N129-C131 VanDerWaalsContact C-N 3.27Å; N129-C131 PolarHBondContact O-N 3.36Å; C131-K152 WeakPolarHBondContact O-CE 3.39Å; C131-K152 PolarHBondContact O-NZ 3.34Å; C131-M281 HydrophobicContact CB-CE 3.9Å; C131-M281 VanDerWaalsContact SG-CE 3.5Å; C131-C351 VanDerWaalsContact CB-SG 3.55Å
132	A	98.9	Very high	98.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-47.8	-177.3	0	0	0	0	0	112.8	H130 K152 I228 L231 F269 V277 L350 T358	H130-A132 PolarHBondContact O-N 2.96Å; A132-K152 WeakPolarHBondContact O-CE 3.33Å; A132-I228 HydrophobicContact CB-CD1 3.62Å; A132-L231 HydrophobicContact CB-CD1 3.83Å; A132-F269 HydrophobicContact CB-CD1 4.07Å; A132-F269 HydrophobicContact CB-CE1 4.44Å; A132-V277 HydrophobicContact CB-CG1 3.93Å; A132-L350 PolarHBondContact N-O 2.87Å; A132-T358 WeakPolarHBondContact CA-OG1 3.47Å; A132-T358 HydrophobicContact CB-CG2 4.29Å
133	A	98.8	Very high	98.7	Very high	5 Å²	5	25 Å²	25	4%	0.041	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	169.8	-170.6	0	0	0	0	0	112.5	S127 Y135 F269 P349 L350	S127-A133 WeakPolarHBondContact OG-CA 3.14Å; S127-A133 PolarHBondContact OG-O 3.02Å; A133-Y135 PolarHBondContact O-N 3.18Å; A133-Y135 VanDerWaalsContact O-N 3.12Å; A133-F269 HydrophobicContact CB-CE1 4.2Å; A133-F269 HydrophobicContact CB-CZ 4.35Å; A133-P349 WeakPolarHBondContact O-CA 3.5Å; A133-L350 HydrophobicContact CB-CB 4.49Å; A133-L350 PolarHBondContact O-N 3.39Å
134	H	98.8	Very high	98.7	Very high	49 Å²	49	27.1 Å²	27.1	23%	0.227	17%	0.173	C	C	.	.			trans	60.9	15.1	171.1	-55.2	162.4	0	0	0	117.2	H285 P348	H134-H285 VanDerWaalsContact C-CE1 3.48Å; H134-H285 PolarHBondContact O-CE1 2.69Å; H134-H285 VanDerWaalsContact O-CE1 3.23Å; H134-H285 PolarHBondContact O-ND1 2.87Å; H134-P348 WeakPolarHBondContact CB-O 3.44Å
135	Y	98.9	Very high	98.7	Very high	19 Å²	19	27 Å²	27	8%	0.075	17%	0.172	C	C	.	.			trans	-92.8	122.7	166.8	169.4	-97.5	0	0	0	111	M96 G125 V126 S127 A133 D141 M281 P349	M96-Y135 HydrophobicContact CG-CE1 4.31Å; G125-Y135 CarbonylContact C-O 3.59Å; G125-Y135 WeakPolarHBondContact CA-O 3.46Å; V126-Y135 HydrophobicContact CG2-CD1 4.08Å; V126-Y135 HydrophobicContact CG2-CE1 3.97Å; V126-Y135 PolarHBondContact N-O 2.62Å; V126-Y135 WeakPolarHBondContact O-CD1 3.14Å; S127-Y135 PolarHBondContact OG-N 3.19Å; A133-Y135 PolarHBondContact O-N 3.18Å; A133-Y135 VanDerWaalsContact O-N 3.12Å; Y135-D141 PolarHBondContact OH-OD2 3.44Å; Y135-M281 HydrophobicContact CD2-CE 4Å; Y135-M281 HydrophobicContact CG-CE 4.32Å; Y135-P349 HydrophobicContact CD2-CG 4.39Å
136	T	98.9	Very high	98.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	19%	0.193	C	C	.	.			trans	-137.3	142.7	162.4	-160.8	0	0	0	0	106.9	P123 T124 S284 H285 C319 R321	P123-T136 HydrophobicContact CB-CG2 4.05Å; T124-T136 WeakPolarHBondContact O-CB 3.31Å; T124-T136 PolarHBondContact O-OG1 3Å; T136-S284 PolarHBondContact N-OG 3.41Å; T136-S284 WeakPolarHBondContact O-CB 3.4Å; T136-S284 PolarHBondContact O-OG 2.97Å; T136-S284 VanDerWaalsContact O-OG 3.04Å; T136-H285 VanDerWaalsContact CG2-CE1 3.41Å; T136-H285 WeakPolarHBondContact CG2-CE1 3.2Å; T136-C319 HydrophobicContact CG2-CB 3.8Å; T136-R321 PolarHBondContact OG1-NH2 2.81Å
137	P	98.9	Very high	98.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-62.3	142.1	-175.6	23.9	-34.8	0	0	0	111.3	M96 I97 D141 R321	M96-P137 HydrophobicContact CB-CB 4.32Å; M96-P137 HydrophobicContact CB-CG 4.02Å; I97-P137 HydrophobicContact CB-CB 4.29Å; I97-P137 HydrophobicContact CB-CG 4.09Å; I97-P137 HydrophobicContact CG1-CG 4.49Å; P137-D141 HydrophobicContact CB-CB 3.64Å; P137-R321 WeakPolarHBondContact O-CD 3.32Å; P137-R321 WeakPolarHBondContact O-CG 3.24Å; P137-R321 PolarHBondContact O-NE 2.9Å
138	N	98.8	Very high	98.7	Very high	9 Å²	9	39 Å²	39	5%	0.048	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-87.4	170.8	164.3	-72	-36.9	0	0	0	110	G140 D141 E282 C283 S284 R320	N138-G140 PolarHBondContact O-N 3.28Å; N138-D141 VanDerWaalsContact O-CB 3.29Å; N138-D141 WeakPolarHBondContact O-CB 3.45Å; N138-D141 PolarHBondContact O-N 2.88Å; N138-D141 VanDerWaalsContact O-N 3.16Å; N138-E282 VanDerWaalsContact ND2-CD 3.32Å; N138-E282 PolarHBondContact ND2-OE2 2.89Å; N138-C283 PolarHBondContact ND2-O 2.97Å; N138-S284 VanDerWaalsContact OD1-CB 3.26Å; N138-S284 WeakPolarHBondContact OD1-CB 3.32Å; N138-R320 WeakPolarHBondContact OD1-CB 3.4Å; N138-R320 WeakPolarHBondContact OD1-CD 3.48Å; N138-R320 WeakPolarHBondContact OD1-CG 3.46Å
139	A	97.9	Very high	98.7	Very high	68 Å²	68	38.9 Å²	38.9	56%	0.562	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	130.8	171.8	0	0	0	0	0	111.1
140	G	97.5	Very high	98.7	Very high	70 Å²	70	37.4 Å²	37.4	72%	0.722	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.6	2	-177.3	0	0	0	0	0	115.1	N138 D142	N138-G140 PolarHBondContact O-N 3.28Å; G140-D142 PolarHBondContact O-N 3.41Å
141	D	98.5	Very high	98.7	Very high	36 Å²	36	35.7 Å²	35.7	19%	0.193	21%	0.213	C	C	.	.			trans	-71.4	115.9	171.9	-164.9	-34.4	0	0	0	110.9	Y135 P137 N138 T143	Y135-D141 PolarHBondContact OH-OD2 3.44Å; P137-D141 HydrophobicContact CB-CB 3.64Å; N138-D141 VanDerWaalsContact O-CB 3.29Å; N138-D141 WeakPolarHBondContact O-CB 3.45Å; N138-D141 PolarHBondContact O-N 2.88Å; N138-D141 VanDerWaalsContact O-N 3.16Å; D141-T143 WeakPolarHBondContact OD1-CB 3.32Å; D141-T143 PolarHBondContact OD1-N 2.99Å; D141-T143 PolarHBondContact OD1-OG1 3.1Å
142	D	98.3	Very high	98.7	Very high	113 Å²	113	35.6 Å²	35.6	60%	0.604	21%	0.212	S	C	*	.			trans	-98	11.5	-179.9	-76.3	-42.8	0	0	0	113.2	K95 G140 V144	K95-D142 IonicContact NZ-OD1 2.67Å; K95-D142 PolarHBondContact NZ-OD1 3.46Å; G140-D142 PolarHBondContact O-N 3.41Å; D142-V144 PolarHBondContact O-N 3.08Å
143	T	98.8	Very high	98.7	Very high	55 Å²	55	35.6 Å²	35.6	34%	0.337	21%	0.212	S	C	.	.			trans	-59.2	130.2	178.9	-56.9	0	0	0	0	110.4	K95 M96 L128 D141	K95-T143 CarbonylContact C-O 3.58Å; K95-T143 VanDerWaalsContact CA-O 3.32Å; K95-T143 WeakPolarHBondContact CA-O 3.26Å; M96-T143 HydrophobicContact CG-CG2 3.71Å; M96-T143 WeakPolarHBondContact CG-O 3.37Å; M96-T143 PolarHBondContact N-O 2.9Å; L128-T143 HydrophobicContact CD1-CG2 3.8Å; D141-T143 WeakPolarHBondContact OD1-CB 3.32Å; D141-T143 PolarHBondContact OD1-N 2.99Å; D141-T143 PolarHBondContact OD1-OG1 3.1Å
144	V	98.9	Very high	98.7	Very high	46 Å²	46	36.3 Å²	36.3	28%	0.279	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-113.8	130.3	179.1	177.5	0	0	0	0	109	G93 M94 K95 D142 Q146	G93-V144 VanDerWaalsContact C-CG1 3.48Å; M94-V144 WeakPolarHBondContact O-CA 3.4Å; K95-V144 HydrophobicContact CG-CG2 4.04Å; D142-V144 PolarHBondContact O-N 3.08Å; V144-Q146 PolarHBondContact O-N 2.99Å; V144-Q146 PolarHBondContact O-NE2 3.37Å
145	L	98.9	Very high	98.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.205	C	C	.	.			trans	-61	126.2	174.3	-178.2	61.7	0	0	0	110.4	L90 P92 G93 M94 M96 I99 L128 D149 C151 F172	L90-L145 HydrophobicContact CD2-CD2 4.06Å; L90-L145 HydrophobicContact CG-CD2 4.22Å; P92-L145 CarbonylContact C-O 3.5Å; P92-L145 VanDerWaalsContact CA-O 3.27Å; P92-L145 WeakPolarHBondContact CA-O 3.38Å; G93-L145 PolarHBondContact N-O 2.97Å; M94-L145 PolarHBondContact O-N 3.3Å; M96-L145 HydrophobicContact SD-CB 3.86Å; I99-L145 HydrophobicContact CD1-CB 4.08Å; I99-L145 HydrophobicContact CD1-CD2 3.78Å; L128-L145 HydrophobicContact CD2-CD1 3.85Å; L145-D149 HydrophobicContact CD1-CB 3.83Å; L145-C151 HydrophobicContact CD1-CB 4.01Å; L145-F172 HydrophobicContact CD2-CE2 3.78Å; L145-F172 HydrophobicContact CD2-CZ 4.09Å; L145-F172 HydrophobicContact CG-CE2 4.13Å
146	Q	98.8	Very high	98.7	Very high	102 Å²	102	33.2 Å²	33.2	48%	0.477	20%	0.202	S	C	.	.			trans	-102.7	162.4	-179.3	-55.3	-58.1	-45.7	0	0	112.1	V144 G148 D149	V144-Q146 PolarHBondContact O-N 2.99Å; V144-Q146 PolarHBondContact O-NE2 3.37Å; Q146-G148 VanDerWaalsContact C-N 3.31Å; Q146-G148 PolarHBondContact O-N 3.32Å; Q146-D149 WeakPolarHBondContact CB-OD2 3.27Å; Q146-D149 PolarHBondContact N-OD2 3.47Å; Q146-D149 WeakPolarHBondContact O-CB 3.34Å; Q146-D149 PolarHBondContact O-N 2.95Å
147	Y	98.7	Very high	98.7	Very high	127 Å²	127	33.1 Å²	33.1	50%	0.498	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-40.3	177.5	177	-99.7	0	0	0	112.6	P92 D149 F172 D173	P92-Y147 HydrophobicContact CG-CD2 4.48Å; Y147-D149 VanDerWaalsContact C-N 3.27Å; Y147-D149 PolarHBondContact O-N 3.46Å; Y147-F172 HydrophobicContact CD2-CB 3.62Å; Y147-F172 HydrophobicContact CE2-CB 3.7Å; Y147-F172 VanDerWaalsContact CE2-O 3.26Å; Y147-F172 WeakPolarHBondContact CE2-O 3.25Å; Y147-F172 HydrophobicContact CG-CB 4.47Å; Y147-F172 PolarHBondContact OH-O 3.25Å; Y147-F172 VanDerWaalsContact OH-O 3.08Å; Y147-D173 HydrophobicContact CD1-CB 4.29Å; Y147-D173 HydrophobicContact CE1-CB 3.75Å
148	G	98.3	Very high	98.7	Very high	28 Å²	28	33.3 Å²	33.3	29%	0.289	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	5.8	179.7	0	0	0	0	0	114.8	Q146 Y176	Q146-G148 VanDerWaalsContact C-N 3.31Å; Q146-G148 PolarHBondContact O-N 3.32Å; G148-Y176 VanDerWaalsContact O-CE2 3.3Å; G148-Y176 WeakPolarHBondContact O-CE2 2.76Å; G148-Y176 PolarHBondContact O-OH 3.16Å
149	D	98.8	Very high	98.7	Very high	18 Å²	18	33 Å²	33	10%	0.096	20%	0.2	C	C	.	.			trans	-80.7	144.5	-179.6	-74.8	-21.9	0	0	0	112.4	L128 N129 L145 Q146 Y147	L128-D149 HydrophobicContact CD2-CB 4.32Å; N129-D149 PolarHBondContact ND2-OD1 3.03Å; N129-D149 VanDerWaalsContact OD1-CA 3.27Å; N129-D149 WeakPolarHBondContact OD1-CA 3.12Å; L145-D149 HydrophobicContact CD1-CB 3.83Å; Q146-D149 WeakPolarHBondContact CB-OD2 3.27Å; Q146-D149 PolarHBondContact N-OD2 3.47Å; Q146-D149 WeakPolarHBondContact O-CB 3.34Å; Q146-D149 PolarHBondContact O-N 2.95Å; Y147-D149 VanDerWaalsContact C-N 3.27Å; Y147-D149 PolarHBondContact O-N 3.46Å
150	V	98.9	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	103.6	166.4	-173.2	0	0	0	0	108.6	N129 K152 T169 Y176 Y357 T358	N129-V150 PolarHBondContact N-O 3.37Å; N129-V150 PolarHBondContact OD1-N 3.28Å; V150-K152 PolarHBondContact O-NZ 2.9Å; V150-K152 VanDerWaalsContact O-NZ 3.13Å; V150-T169 HydrophobicContact CG1-CG2 3.38Å; V150-Y176 HydrophobicContact CG2-CD1 3.6Å; V150-Y176 HydrophobicContact CG2-CD2 3.53Å; V150-Y176 HydrophobicContact CG2-CE1 3.76Å; V150-Y176 HydrophobicContact CG2-CE2 3.66Å; V150-Y176 HydrophobicContact CG2-CG 3.48Å; V150-Y176 VanDerWaalsContact CG2-CG 3.48Å; V150-Y357 HydrophobicContact CG2-CD1 4.15Å; V150-T358 WeakPolarHBondContact CG1-O 3.37Å
151	C	98.9	Very high	98.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.8	-173.2	-176.7	0	0	0	0	110.9	S127 L128 L145 T169 V170	S127-C151 WeakPolarHBondContact O-CA 3.39Å; L128-C151 HydrophobicContact CD2-CB 3.65Å; L145-C151 HydrophobicContact CD1-CB 4.01Å; C151-T169 CarbonylContact O-C 3.49Å; C151-T169 WeakPolarHBondContact O-CA 3.48Å; C151-V170 PolarHBondContact N-O 2.85Å; C151-V170 PolarHBondContact O-N 3.24Å
152	K	98.9	Very high	98.8	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.3	172.3	-72.4	69.7	57.7	-175.3	0	108.2	G125 V126 S127 N129 C131 A132 V150 T358 Q360	G125-K152 CarbonylContact C-O 3.59Å; V126-K152 CarbonylContact C-O 3.55Å; V126-K152 WeakPolarHBondContact CA-O 3.36Å; S127-K152 PolarHBondContact N-O 3.01Å; S127-K152 WeakPolarHBondContact O-CE 3.4Å; S127-K152 PolarHBondContact O-N 2.83Å; S127-K152 PolarHBondContact O-NZ 3.4Å; N129-K152 PolarHBondContact O-NZ 3.24Å; N129-K152 VanDerWaalsContact O-NZ 3.12Å; C131-K152 WeakPolarHBondContact O-CE 3.39Å; C131-K152 PolarHBondContact O-NZ 3.34Å; A132-K152 WeakPolarHBondContact O-CE 3.33Å; V150-K152 PolarHBondContact O-NZ 2.9Å; V150-K152 VanDerWaalsContact O-NZ 3.13Å; K152-T358 WeakPolarHBondContact CD-O 3.32Å; K152-T358 WeakPolarHBondContact CE-OG1 3.4Å; K152-T358 PolarHBondContact NZ-O 2.72Å; K152-T358 PolarHBondContact NZ-OG1 2.8Å; K152-Q360 HydrophobicContact CB-CB 4.3Å; K152-Q360 HydrophobicContact CG-CB 3.52Å
153	V	98.9	Very high	98.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	107.8	175.4	-177.1	0	0	0	0	107.9	L90 L103 G125 F155 A167 F168 V170	L90-V153 HydrophobicContact CD1-CG2 4.24Å; L103-V153 HydrophobicContact CD1-CG1 3.84Å; G125-V153 WeakPolarHBondContact O-CA 3.32Å; V153-F155 HydrophobicContact CG1-CD1 4.29Å; V153-A167 WeakPolarHBondContact O-CA 3.28Å; V153-F168 HydrophobicContact CB-CD1 4.29Å; V153-F168 HydrophobicContact CB-CE1 3.81Å; V153-F168 HydrophobicContact CB-CE2 4.12Å; V153-F168 HydrophobicContact CB-CZ 3.73Å; V153-F168 HydrophobicContact CG1-CE1 3.74Å; V153-F168 HydrophobicContact CG1-CZ 3.77Å; V153-F168 HydrophobicContact CG2-CE2 4.27Å; V153-F168 HydrophobicContact CG2-CZ 4.18Å; V153-F168 PolarHBondContact N-O 3.17Å; V153-F168 PolarHBondContact O-N 3.04Å; V153-V170 HydrophobicContact CG2-CG2 4.01Å
154	D	99	Very high	98.8	Very high	21 Å²	21	22.8 Å²	22.8	11%	0.112	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	118.3	-172.7	-174.6	-12.5	0	0	0	108.4	F122 T124 G125 A167 Q360	F122-D154 VanDerWaalsContact CE2-OD1 3.31Å; F122-D154 WeakPolarHBondContact CE2-OD1 3.32Å; T124-D154 CarbonylContact C-O 3.53Å; T124-D154 WeakPolarHBondContact CA-O 3.41Å; G125-D154 WeakPolarHBondContact CA-O 3.35Å; G125-D154 PolarHBondContact N-O 2.75Å; G125-D154 PolarHBondContact O-N 3.26Å; D154-A167 HydrophobicContact CB-CB 3.73Å; D154-Q360 PolarHBondContact OD2-NE2 2.75Å
155	F	98.9	Very high	98.8	Very high	2 Å²	2	21 Å²	21	1%	0.009	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	146.5	-178.1	72.5	-78.9	0	0	0	111.4	H79 T82 R83 L103 T124 V153 I157 F168	H79-F155 HydrophobicContact CB-CE2 4.43Å; H79-F155 HydrophobicContact CB-CZ 4.47Å; H79-F155 AromaticContact CD2-CD2 3.94Å; H79-F155 AromaticContact CD2-CE2 3.49Å; H79-F155 VanDerWaalsContact CD2-CE2 3.49Å; H79-F155 WeakPolarHBondContact CD2-CE2 3.3Å; H79-F155 AromaticContact CD2-CZ 3.55Å; H79-F155 PolarHBondContact CD2-O 3.46Å; H79-F155 AromaticContact CE1-CE1 3.42Å; H79-F155 VanDerWaalsContact CE1-CE1 3.42Å; H79-F155 WeakPolarHBondContact CE1-CE1 3.27Å; H79-F155 AromaticContact CE1-CZ 3.45Å; H79-F155 VanDerWaalsContact CE1-CZ 3.45Å; H79-F155 WeakPolarHBondContact CE1-CZ 3.49Å; H79-F155 AromaticContact CG-CE2 3.85Å; H79-F155 AromaticContact CG-CZ 3.65Å; H79-F155 AromaticContact ND1-CZ 3.62Å; H79-F155 AromaticContact NE2-CD1 3.74Å; H79-F155 AromaticContact NE2-CE1 3.42Å; H79-F155 WeakPolarHBondContact NE2-CE1 3.5Å; H79-F155 AromaticContact NE2-CE2 3.73Å; H79-F155 AromaticContact NE2-CZ 3.42Å; H79-F155 WeakPolarHBondContact NE2-CZ 3.35Å; H79-F155 PolarHBondContact NE2-O 2.92Å; T82-F155 HydrophobicContact CG2-CE2 3.69Å; T82-F155 HydrophobicContact CG2-CZ 3.75Å; R83-F155 HydrophobicContact CB-CE1 4Å; R83-F155 HydrophobicContact CB-CZ 4.06Å; L103-F155 HydrophobicContact CD1-CD1 4.17Å; L103-F155 HydrophobicContact CD1-CE1 4.47Å; L103-F155 HydrophobicContact CD2-CB 4.25Å; L103-F155 HydrophobicContact CD2-CD1 4.36Å; L103-F155 HydrophobicContact CD2-CD2 3.96Å; L103-F155 HydrophobicContact CD2-CE2 4.43Å; L103-F155 HydrophobicContact CD2-CG 3.92Å; T124-F155 HydrophobicContact CG2-CB 4.25Å; V153-F155 HydrophobicContact CG1-CD1 4.29Å; F155-I157 HydrophobicContact CD2-CD1 4.22Å; F155-I157 HydrophobicContact CD2-CG1 4.4Å; F155-I157 HydrophobicContact CE2-CD1 4.22Å; F155-I157 HydrophobicContact CE2-CG1 4.19Å; F155-F168 HydrophobicContact CE1-CE1 4.39Å
156	G	98.9	Very high	98.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	144.2	-175.4	0	0	0	0	0	113.7	L120 A121 I164	L120-G156 CarbonylContact C-O 3.29Å; L120-G156 WeakPolarHBondContact CA-O 3.49Å; A121-G156 PolarHBondContact N-O 2.87Å; G156-I164 WeakPolarHBondContact CA-O 3.45Å
157	I	98.9	Very high	98.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144.6	171.1	-54	-63.1	0	0	0	108.5	A75 V78 H79 A107 V111 L120 F155 I164	A75-I157 HydrophobicContact CB-CB 4.24Å; A75-I157 HydrophobicContact CB-CG2 3.94Å; V78-I157 HydrophobicContact CB-CG1 4.34Å; V78-I157 HydrophobicContact CB-CG2 3.98Å; V78-I157 HydrophobicContact CG1-CD1 3.85Å; V78-I157 HydrophobicContact CG1-CG1 3.86Å; V78-I157 HydrophobicContact CG1-CG2 3.91Å; V78-I157 HydrophobicContact CG2-CG2 4.48Å; H79-I157 HydrophobicContact CB-CG1 4.27Å; A107-I157 HydrophobicContact CB-CD1 3.88Å; V111-I157 HydrophobicContact CB-CG2 4.23Å; V111-I157 HydrophobicContact CG2-CG2 3.55Å; L120-I157 HydrophobicContact CD2-CD1 3.71Å; F155-I157 HydrophobicContact CD2-CD1 4.22Å; F155-I157 HydrophobicContact CD2-CG1 4.4Å; F155-I157 HydrophobicContact CE2-CD1 4.22Å; F155-I157 HydrophobicContact CE2-CG1 4.19Å; I157-I164 PolarHBondContact N-O 3.22Å; I157-I164 PolarHBondContact O-N 3.01Å
158	H	98.9	Very high	98.9	Very high	3 Å²	3	10.1 Å²	10.1	1%	0.014	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.5	169.7	79.8	85.1	0	0	0	113.6	L116 A118 G119 A121 G161 R162 I163 L316	L116-H158 PolarHBondContact O-CE1 3.41Å; L116-H158 VanDerWaalsContact O-CE1 3.23Å; A118-H158 WeakPolarHBondContact CA-O 3.48Å; G119-H158 PolarHBondContact N-NE2 3.07Å; G119-H158 PolarHBondContact N-O 3.48Å; G119-H158 VanDerWaalsContact N-O 3.16Å; G119-H158 PolarHBondContact O-CD2 3Å; G119-H158 PolarHBondContact O-N 2.97Å; A121-H158 HydrophobicContact CB-CB 4.13Å; H158-G161 PolarHBondContact ND1-N 3.43Å; H158-R162 WeakPolarHBondContact CA-O 3.47Å; H158-R162 WeakPolarHBondContact CB-O 3.4Å; H158-I163 HydrophobicContact CB-CG1 4.01Å; H158-L316 VanDerWaalsContact CD2-CD1 3.49Å; H158-L316 WeakPolarHBondContact CD2-CD1 3.42Å; H158-L316 VanDerWaalsContact NE2-CD1 3.26Å; H158-L316 WeakPolarHBondContact NE2-CD1 3.48Å
159	I	98.9	Very high	98.9	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.01	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.7	165.1	-54.3	-67.3	0	0	0	107.1	D71 R74 A75 V111 K117 A118 G161 R162	D71-I159 HydrophobicContact CB-CB 4.02Å; D71-I159 HydrophobicContact CB-CG2 4.05Å; D71-I159 VanDerWaalsContact OD1-CG2 3.25Å; D71-I159 WeakPolarHBondContact OD1-CG2 3.46Å; R74-I159 HydrophobicContact CB-CG1 4.1Å; R74-I159 HydrophobicContact CG-CD1 4.1Å; R74-I159 HydrophobicContact CG-CG1 3.96Å; A75-I159 HydrophobicContact CB-CG1 4.13Å; V111-I159 HydrophobicContact CG2-CD1 3.61Å; K117-I159 CarbonylContact O-C 3.55Å; K117-I159 WeakPolarHBondContact O-CA 3.46Å; A118-I159 HydrophobicContact CB-CD1 3.76Å; I159-G161 PolarHBondContact O-N 2.88Å; I159-G161 VanDerWaalsContact O-N 3.09Å; I159-R162 PolarHBondContact N-O 2.91Å; I159-R162 VanDerWaalsContact O-CB 3.24Å; I159-R162 WeakPolarHBondContact O-CB 3.23Å; I159-R162 WeakPolarHBondContact O-CG 3.32Å; I159-R162 PolarHBondContact O-N 2.89Å
160	N	98.7	Very high	98.9	Very high	69 Å²	69	9.3 Å²	9.3	37%	0.369	5%	0.046	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	39.2	-175.7	-56.7	-49.5	0	0	0	113.7	D71 K117 R162 Y239	D71-N160 WeakPolarHBondContact OD2-CB 3.42Å; D71-N160 PolarHBondContact OD2-ND2 2.82Å; K117-N160 PolarHBondContact O-N 3.46Å; N160-R162 VanDerWaalsContact C-N 3.28Å; N160-R162 PolarHBondContact O-N 3.05Å; N160-Y239 VanDerWaalsContact C-CZ 3.41Å; N160-Y239 WeakPolarHBondContact CA-OH 3.5Å
161	G	98.7	Very high	98.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	6.2	-176.8	0	0	0	0	0	115.8	H158 I159 I163 P238 Y239	H158-G161 PolarHBondContact ND1-N 3.43Å; I159-G161 PolarHBondContact O-N 2.88Å; I159-G161 VanDerWaalsContact O-N 3.09Å; G161-I163 PolarHBondContact O-N 2.86Å; G161-P238 WeakPolarHBondContact O-CA 3.3Å; G161-Y239 VanDerWaalsContact CA-CE1 3.44Å; G161-Y239 VanDerWaalsContact N-CZ 3.27Å; G161-Y239 PolarHBondContact N-OH 3.11Å; G161-Y239 PolarHBondContact O-N 3.24Å
162	R	98.9	Very high	98.8	Very high	58 Å²	58	14 Å²	14	22%	0.219	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	102.2	170	-52.4	-50.7	168.8	176.4	0.2	108.9	M68 D71 F72 H158 I159 N160	M68-R162 HydrophobicContact CG-CG 4.27Å; D71-R162 HydrophobicContact CB-CB 3.98Å; D71-R162 HydrophobicContact CB-CG 3.66Å; F72-R162 HydrophobicContact CD1-CB 3.85Å; F72-R162 HydrophobicContact CD2-CB 3.9Å; F72-R162 HydrophobicContact CD2-CG 4.23Å; F72-R162 HydrophobicContact CE1-CB 3.78Å; F72-R162 HydrophobicContact CE2-CB 3.84Å; F72-R162 HydrophobicContact CE2-CG 4.03Å; F72-R162 HydrophobicContact CG-CB 3.9Å; F72-R162 HydrophobicContact CZ-CB 3.77Å; F72-R162 HydrophobicContact CZ-CG 4.3Å; H158-R162 WeakPolarHBondContact CA-O 3.47Å; H158-R162 WeakPolarHBondContact CB-O 3.4Å; I159-R162 PolarHBondContact N-O 2.91Å; I159-R162 VanDerWaalsContact O-CB 3.24Å; I159-R162 WeakPolarHBondContact O-CB 3.23Å; I159-R162 WeakPolarHBondContact O-CG 3.32Å; I159-R162 PolarHBondContact O-N 2.89Å; N160-R162 VanDerWaalsContact C-N 3.28Å; N160-R162 PolarHBondContact O-N 3.05Å
163	I	99	Very high	98.8	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.8	-168.5	-58.4	163.2	0	0	0	110.2	F72 A121 F122 H158 G161 I236 I241 L316	F72-I163 VanDerWaalsContact CE1-O 3.26Å; F72-I163 WeakPolarHBondContact CE1-O 3.32Å; A121-I163 HydrophobicContact CB-CB 4.22Å; A121-I163 HydrophobicContact CB-CG1 3.95Å; A121-I163 HydrophobicContact CB-CG2 3.42Å; A121-I163 VanDerWaalsContact CB-CG2 3.42Å; F122-I163 HydrophobicContact CD1-CG2 4.45Å; F122-I163 HydrophobicContact CE1-CG2 4.16Å; H158-I163 HydrophobicContact CB-CG1 4.01Å; G161-I163 PolarHBondContact O-N 2.86Å; I163-I236 HydrophobicContact CB-CG2 3.94Å; I163-I236 HydrophobicContact CD1-CG2 4.43Å; I163-I241 HydrophobicContact CB-CD1 4.46Å; I163-I241 HydrophobicContact CD1-CB 4.4Å; I163-I241 HydrophobicContact CD1-CD1 4.27Å; I163-I241 HydrophobicContact CG2-CD1 3.62Å; I163-L316 HydrophobicContact CD1-CD2 3.83Å; I163-L316 HydrophobicContact CG1-CD2 4.18Å
164	I	99	Very high	98.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	115	160.5	-65.7	-64.3	0	0	0	107.8	F72 A75 A76 H79 G156 I157 T364 V375	F72-I164 HydrophobicContact CB-CD1 4.38Å; F72-I164 HydrophobicContact CD1-CD1 3.96Å; A75-I164 HydrophobicContact CB-CB 4.24Å; A75-I164 HydrophobicContact CB-CG1 3.54Å; A76-I164 HydrophobicContact CB-CD1 3.91Å; A76-I164 HydrophobicContact CB-CG1 3.97Å; H79-I164 HydrophobicContact CB-CG2 4.1Å; G156-I164 WeakPolarHBondContact CA-O 3.45Å; I157-I164 PolarHBondContact N-O 3.22Å; I157-I164 PolarHBondContact O-N 3.01Å; I164-T364 HydrophobicContact CD1-CG2 4Å; I164-V375 HydrophobicContact CD1-CG1 3.47Å; I164-V375 VanDerWaalsContact CD1-CG1 3.47Å; I164-V375 HydrophobicContact CD1-CG2 4.44Å
165	D	98.9	Very high	98.7	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.043	12%	0.12	C	C	.	.			trans	-101.3	122.5	165.8	-154.8	-17.4	0	0	0	109.5	F122 H234 I236 I241 A265 E362 T364	F122-D165 HydrophobicContact CE1-CB 4.14Å; F122-D165 HydrophobicContact CZ-CB 4.31Å; F122-D165 WeakPolarHBondContact CZ-OD1 3.49Å; D165-H234 IonicContact OD2-CE1 3.67Å; D165-H234 PolarHBondContact OD2-CE1 3.42Å; D165-H234 IonicContact OD2-NE2 2.82Å; D165-H234 PolarHBondContact OD2-NE2 3.39Å; D165-I236 HydrophobicContact CB-CD1 3.9Å; D165-I241 HydrophobicContact CB-CD1 4.09Å; D165-I241 WeakPolarHBondContact OD2-CD1 3.34Å; D165-A265 HydrophobicContact CB-CB 4.18Å; D165-E362 WeakPolarHBondContact CB-OE1 3.15Å; D165-T364 PolarHBondContact N-OG1 2.98Å; D165-T364 PolarHBondContact O-N 3.48Å; D165-T364 PolarHBondContact O-OG1 2.74Å
166	S	98.9	Very high	98.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	136.7	-178.4	-174.9	0	0	0	0	110.8	H79 E362 Y381	H79-S166 PolarHBondContact CE1-O 3.06Å; H79-S166 PolarHBondContact NE2-O 3.38Å; S166-E362 WeakPolarHBondContact CA-O 3Å; S166-E362 WeakPolarHBondContact CB-O 3.02Å; S166-E362 PolarHBondContact OG-O 3.02Å; S166-Y381 PolarHBondContact OG-OH 3.37Å
167	A	98.9	Very high	98.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.1	-170.7	0	0	0	0	0	111.3	V153 D154 Q360 E362 Y381	V153-A167 WeakPolarHBondContact O-CA 3.28Å; D154-A167 HydrophobicContact CB-CB 3.73Å; A167-Q360 HydrophobicContact CB-CG 4.19Å; A167-E362 HydrophobicContact CB-CB 3.92Å; A167-E362 PolarHBondContact N-O 3.39Å; A167-E362 PolarHBondContact O-N 2.9Å; A167-E362 VanDerWaalsContact O-N 3.09Å; A167-Y381 WeakPolarHBondContact O-CE2 3.34Å
168	F	98.9	Very high	98.7	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151.3	174.1	62.5	-78.4	0	0	0	111.1	R83 V86 K87 V153 F155 V170 W361 Y381	R83-F168 HydrophobicContact CB-CD1 4.33Å; R83-F168 HydrophobicContact CB-CE1 3.62Å; R83-F168 HydrophobicContact CB-CZ 4.18Å; V86-F168 HydrophobicContact CG1-CZ 4.32Å; K87-F168 HydrophobicContact CD-CE2 4.31Å; K87-F168 VanDerWaalsContact CE-CD2 3.44Å; K87-F168 HydrophobicContact CG-CE2 3.94Å; K87-F168 HydrophobicContact CG-CZ 4.31Å; V153-F168 HydrophobicContact CB-CD1 4.29Å; V153-F168 HydrophobicContact CB-CE1 3.81Å; V153-F168 HydrophobicContact CB-CE2 4.12Å; V153-F168 HydrophobicContact CB-CZ 3.73Å; V153-F168 HydrophobicContact CG1-CE1 3.74Å; V153-F168 HydrophobicContact CG1-CZ 3.77Å; V153-F168 HydrophobicContact CG2-CE2 4.27Å; V153-F168 HydrophobicContact CG2-CZ 4.18Å; V153-F168 PolarHBondContact N-O 3.17Å; V153-F168 PolarHBondContact O-N 3.04Å; F155-F168 HydrophobicContact CE1-CE1 4.39Å; F168-V170 HydrophobicContact CD2-CG2 3.62Å; F168-V170 HydrophobicContact CE2-CG2 3.32Å; F168-V170 HydrophobicContact CZ-CG2 4.42Å; F168-W361 HydrophobicContact CB-CE3 3.71Å; F168-W361 HydrophobicContact CB-CH2 4.02Å; F168-W361 HydrophobicContact CB-CZ3 3.32Å; F168-Y381 HydrophobicContact CB-CD1 4.26Å; F168-Y381 HydrophobicContact CB-CE1 3.82Å; F168-Y381 HydrophobicContact CD1-CE1 4.04Å; F168-Y381 HydrophobicContact CG-CE1 4.14Å
169	T	98.9	Very high	98.7	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.043	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138.3	173	-58.1	0	0	0	0	110.9	V150 C151 V180 A359 Q360	V150-T169 HydrophobicContact CG1-CG2 3.38Å; C151-T169 CarbonylContact O-C 3.49Å; C151-T169 WeakPolarHBondContact O-CA 3.48Å; T169-V180 HydrophobicContact CG2-CG2 3.7Å; T169-A359 HydrophobicContact CG2-CB 4.06Å; T169-Q360 PolarHBondContact N-O 2.57Å; T169-Q360 PolarHBondContact OG1-N 3.48Å; T169-Q360 PolarHBondContact OG1-O 3.23Å
170	V	98.6	Very high	98.7	Very high	22 Å²	22	36.8 Å²	36.8	13%	0.133	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.7	170	-174.4	0	0	0	0	109.9	L90 C151 V153 F168 F172	L90-V170 HydrophobicContact CD2-CB 3.99Å; L90-V170 HydrophobicContact CD2-CG1 3.45Å; L90-V170 VanDerWaalsContact CD2-CG1 3.45Å; L90-V170 HydrophobicContact CD2-CG2 4.09Å; C151-V170 PolarHBondContact N-O 2.85Å; C151-V170 PolarHBondContact O-N 3.24Å; V153-V170 HydrophobicContact CG2-CG2 4.01Å; F168-V170 HydrophobicContact CD2-CG2 3.62Å; F168-V170 HydrophobicContact CE2-CG2 3.32Å; F168-V170 HydrophobicContact CZ-CG2 4.42Å; V170-F172 HydrophobicContact CG1-CE1 4.34Å; V170-F172 HydrophobicContact CG1-CE2 4.31Å; V170-F172 HydrophobicContact CG1-CZ 3.99Å
171	H	98.6	Very high	98.7	Very high	42 Å²	42	38.7 Å²	38.7	19%	0.194	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	151.1	173.9	60.2	-69.9	0	0	0	108.8	D173 Y176 D177	H171-D173 PolarHBondContact CD2-O 3.28Å; H171-Y176 HydrophobicContact CB-CD2 4.05Å; H171-D177 IonicContact CD2-OD1 3.4Å; H171-D177 IonicContact CE1-OD1 2.76Å; H171-D177 IonicContact NE2-OD1 2.71Å; H171-D177 PolarHBondContact NE2-OD1 3.35Å
172	F	98.5	Very high	98.7	Very high	56 Å²	56	38.7 Å²	38.7	25%	0.246	18%	0.176	C	C	.	.	S	Bend	trans	-112.4	-19.9	178.1	-53.4	-83	0	0	0	112.8	L90 Q91 P92 L145 Y147 V170	L90-F172 HydrophobicContact CD2-CE2 4.44Å; L90-F172 HydrophobicContact CD2-CZ 3.68Å; L90-F172 WeakPolarHBondContact O-CE1 3.43Å; Q91-F172 VanDerWaalsContact CA-CZ 3.5Å; P92-F172 VanDerWaalsContact CD-CZ 3.5Å; P92-F172 HydrophobicContact CG-CB 4.29Å; P92-F172 HydrophobicContact CG-CD1 4.2Å; P92-F172 HydrophobicContact CG-CD2 3.42Å; P92-F172 VanDerWaalsContact CG-CD2 3.42Å; P92-F172 HydrophobicContact CG-CE1 4.4Å; P92-F172 HydrophobicContact CG-CE2 3.66Å; P92-F172 HydrophobicContact CG-CG 3.7Å; P92-F172 HydrophobicContact CG-CZ 4.14Å; L145-F172 HydrophobicContact CD2-CE2 3.78Å; L145-F172 HydrophobicContact CD2-CZ 4.09Å; L145-F172 HydrophobicContact CG-CE2 4.13Å; Y147-F172 HydrophobicContact CD2-CB 3.62Å; Y147-F172 HydrophobicContact CE2-CB 3.7Å; Y147-F172 VanDerWaalsContact CE2-O 3.26Å; Y147-F172 WeakPolarHBondContact CE2-O 3.25Å; Y147-F172 HydrophobicContact CG-CB 4.47Å; Y147-F172 PolarHBondContact OH-O 3.25Å; Y147-F172 VanDerWaalsContact OH-O 3.08Å; V170-F172 HydrophobicContact CG1-CE1 4.34Å; V170-F172 HydrophobicContact CG1-CE2 4.31Å; V170-F172 HydrophobicContact CG1-CZ 3.99Å
173	D	98.2	Very high	98.7	Very high	36 Å²	36	35.9 Å²	35.9	19%	0.193	17%	0.166	C	C	.	.	S	Bend	trans	-90.1	110.5	171.2	-168.1	-24.3	0	0	0	110.1	Y147 H171 T175 Y176	Y147-D173 HydrophobicContact CD1-CB 4.29Å; Y147-D173 HydrophobicContact CE1-CB 3.75Å; H171-D173 PolarHBondContact CD2-O 3.28Å; D173-T175 HydrophobicContact CB-CG2 4.2Å; D173-T175 PolarHBondContact O-N 3.44Å; D173-T175 WeakPolarHBondContact OD1-CB 3.3Å; D173-T175 WeakPolarHBondContact OD1-CG2 3.38Å; D173-T175 PolarHBondContact OD1-N 2.9Å; D173-Y176 HydrophobicContact CB-CD2 3.98Å; D173-Y176 HydrophobicContact CB-CE2 3.87Å; D173-Y176 VanDerWaalsContact O-CD2 3.23Å; D173-Y176 WeakPolarHBondContact O-CD2 3.4Å; D173-Y176 PolarHBondContact O-N 3.45Å; D173-Y176 VanDerWaalsContact O-N 3.07Å
174	W	97.7	Very high	98.7	Very high	200 Å²	200	38.9 Å²	38.9	76%	0.758	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-48.3	-19	172.9	62.5	-41.7	0	0	0	115.5	Y176 D177	W174-Y176 PolarHBondContact O-N 3.01Å; W174-D177 WeakPolarHBondContact O-CB 3.29Å; W174-D177 VanDerWaalsContact O-CG 3.31Å; W174-D177 PolarHBondContact O-N 3.03Å
175	T	98.1	Very high	98.7	Very high	45 Å²	45	41.7 Å²	41.7	28%	0.276	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-56.7	-21.1	172	-161.7	0	0	0	0	113.2	D173 E217 I218	D173-T175 HydrophobicContact CB-CG2 4.2Å; D173-T175 PolarHBondContact O-N 3.44Å; D173-T175 WeakPolarHBondContact OD1-CB 3.3Å; D173-T175 WeakPolarHBondContact OD1-CG2 3.38Å; D173-T175 PolarHBondContact OD1-N 2.9Å; T175-E217 PolarHBondContact OG1-O 3.44Å; T175-I218 HydrophobicContact CG2-CG2 4.4Å
176	Y	98.7	Very high	98.7	Very high	9 Å²	9	41.3 Å²	41.3	4%	0.035	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-94.7	-4.4	180	-54.3	-62.4	0	0	0	114.3	G148 V150 H171 D173 W174 K178 L179 V180 I218 Y357	G148-Y176 VanDerWaalsContact O-CE2 3.3Å; G148-Y176 WeakPolarHBondContact O-CE2 2.76Å; G148-Y176 PolarHBondContact O-OH 3.16Å; V150-Y176 HydrophobicContact CG2-CD1 3.6Å; V150-Y176 HydrophobicContact CG2-CD2 3.53Å; V150-Y176 HydrophobicContact CG2-CE1 3.76Å; V150-Y176 HydrophobicContact CG2-CE2 3.66Å; V150-Y176 HydrophobicContact CG2-CG 3.48Å; V150-Y176 VanDerWaalsContact CG2-CG 3.48Å; H171-Y176 HydrophobicContact CB-CD2 4.05Å; D173-Y176 HydrophobicContact CB-CD2 3.98Å; D173-Y176 HydrophobicContact CB-CE2 3.87Å; D173-Y176 VanDerWaalsContact O-CD2 3.23Å; D173-Y176 WeakPolarHBondContact O-CD2 3.4Å; D173-Y176 PolarHBondContact O-N 3.45Å; D173-Y176 VanDerWaalsContact O-N 3.07Å; W174-Y176 PolarHBondContact O-N 3.01Å; Y176-K178 VanDerWaalsContact C-N 3.32Å; Y176-K178 PolarHBondContact O-N 2.89Å; Y176-L179 WeakPolarHBondContact O-CB 3.31Å; Y176-L179 PolarHBondContact O-N 3.04Å; Y176-V180 PolarHBondContact O-N 2.72Å; Y176-I218 HydrophobicContact CD1-CD1 3.82Å; Y176-I218 HydrophobicContact CD1-CG1 4.44Å; Y176-I218 HydrophobicContact CE1-CD1 3.98Å; Y176-I218 HydrophobicContact CE1-CG2 3.95Å; Y176-Y357 HydrophobicContact CD1-CG 4.41Å; Y176-Y357 AromaticContact CE1-CD1 3.63Å; Y176-Y357 HydrophobicContact CE1-CD1 3.63Å; Y176-Y357 AromaticContact CE1-CD2 3.96Å; Y176-Y357 HydrophobicContact CE1-CD2 3.96Å; Y176-Y357 AromaticContact CE1-CE1 3.83Å; Y176-Y357 HydrophobicContact CE1-CE1 3.83Å; Y176-Y357 HydrophobicContact CE1-CE2 4.14Å; Y176-Y357 AromaticContact CE1-CG 3.7Å; Y176-Y357 HydrophobicContact CE1-CG 3.7Å; Y176-Y357 AromaticContact CZ-CD1 3.92Å; Y176-Y357 AromaticContact CZ-CE1 3.79Å; Y176-Y357 WeakPolarHBondContact OH-CE1 3.24Å
177	D	98.7	Very high	98.7	Very high	83 Å²	83	41.4 Å²	41.4	44%	0.444	19%	0.193	S	C	.	.	H	α-helix	trans	-51.1	-50.2	-175.7	-76.3	-10.5	0	0	0	111.8	H171 W174 L179 V180 E181	H171-D177 IonicContact CD2-OD1 3.4Å; H171-D177 IonicContact CE1-OD1 2.76Å; H171-D177 IonicContact NE2-OD1 2.71Å; H171-D177 PolarHBondContact NE2-OD1 3.35Å; W174-D177 WeakPolarHBondContact O-CB 3.29Å; W174-D177 VanDerWaalsContact O-CG 3.31Å; W174-D177 PolarHBondContact O-N 3.03Å; D177-L179 VanDerWaalsContact C-N 3.34Å; D177-L179 PolarHBondContact O-N 2.89Å; D177-V180 PolarHBondContact O-N 3.12Å; D177-E181 WeakPolarHBondContact O-CB 3.35Å; D177-E181 PolarHBondContact O-N 3.11Å
178	K	98.6	Very high	98.7	Very high	127 Å²	127	43.6 Å²	43.6	55%	0.552	20%	0.204	S	C	*	.	H	α-helix	trans	-65.6	-33.2	-179.8	-71.9	-172.1	174.5	-175.4	0	113.7	Y176 A182 V216	Y176-K178 VanDerWaalsContact C-N 3.32Å; Y176-K178 PolarHBondContact O-N 2.89Å; K178-A182 VanDerWaalsContact O-CB 3.3Å; K178-A182 WeakPolarHBondContact O-CB 3.33Å; K178-A182 PolarHBondContact O-N 3.33Å; K178-V216 HydrophobicContact CB-CG1 3.76Å
179	L	98.8	Very high	98.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67	-45.7	176.2	172.7	62.7	0	0	0	109.7	Y176 D177 A182 V183 V216 V225 T272 A359	Y176-L179 WeakPolarHBondContact O-CB 3.31Å; Y176-L179 PolarHBondContact O-N 3.04Å; D177-L179 VanDerWaalsContact C-N 3.34Å; D177-L179 PolarHBondContact O-N 2.89Å; L179-A182 PolarHBondContact O-N 2.97Å; L179-V183 WeakPolarHBondContact O-CG2 3.3Å; L179-V183 PolarHBondContact O-N 2.91Å; L179-V216 HydrophobicContact CB-CG1 4.11Å; L179-V225 HydrophobicContact CD1-CG1 3.81Å; L179-V225 HydrophobicContact CD1-CG2 4.07Å; L179-T272 HydrophobicContact CD2-CG2 4.39Å; L179-A359 HydrophobicContact CD2-CB 4.48Å; L179-A359 HydrophobicContact CG-CB 4.08Å
180	V	98.8	Very high	98.7	Very high	8 Å²	8	44.6 Å²	44.6	5%	0.048	21%	0.21	C	C	.	.	H	α-helix	trans	-68	-37.6	179.8	175.2	0	0	0	0	111.2	T169 Y176 D177 K184 A359 W361	T169-V180 HydrophobicContact CG2-CG2 3.7Å; Y176-V180 PolarHBondContact O-N 2.72Å; D177-V180 PolarHBondContact O-N 3.12Å; V180-K184 WeakPolarHBondContact O-CB 3.32Å; V180-K184 PolarHBondContact O-N 3.01Å; V180-A359 HydrophobicContact CG2-CB 4.1Å; V180-W361 HydrophobicContact CG1-CZ2 3.57Å; V180-W361 PolarHBondContact O-NE1 3Å
181	E	98.8	Very high	98.7	Very high	109 Å²	109	43.8 Å²	43.8	51%	0.509	21%	0.205	S	C	.	.	H	α-helix	trans	-62.7	-48.4	173	-177	177.6	-159.7	0	0	111.9	D177 V183 K184 D185 Y214	D177-E181 WeakPolarHBondContact O-CB 3.35Å; D177-E181 PolarHBondContact O-N 3.11Å; E181-V183 VanDerWaalsContact C-N 3.28Å; E181-V183 PolarHBondContact O-N 3.2Å; E181-K184 WeakPolarHBondContact O-CB 3.41Å; E181-K184 PolarHBondContact O-N 3.49Å; E181-D185 PolarHBondContact O-N 3.42Å; E181-Y214 HydrophobicContact CG-CE1 4.33Å
182	A	98.9	Very high	98.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-55.3	-43.7	179.1	0	0	0	0	0	112.3	K178 L179 A186 Y214 V225	K178-A182 VanDerWaalsContact O-CB 3.3Å; K178-A182 WeakPolarHBondContact O-CB 3.33Å; K178-A182 PolarHBondContact O-N 3.33Å; L179-A182 PolarHBondContact O-N 2.97Å; A182-A186 WeakPolarHBondContact O-CB 3.42Å; A182-A186 PolarHBondContact O-N 3.07Å; A182-Y214 HydrophobicContact CB-CD1 3.64Å; A182-Y214 HydrophobicContact CB-CD2 3.73Å; A182-Y214 HydrophobicContact CB-CE1 4.26Å; A182-Y214 HydrophobicContact CB-CE2 4.35Å; A182-Y214 HydrophobicContact CB-CG 3.35Å; A182-V225 HydrophobicContact CB-CB 4.39Å; A182-V225 HydrophobicContact CB-CG1 4.24Å; A182-V225 HydrophobicContact CB-CG2 4Å
183	V	98.9	Very high	98.6	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-72.7	-35.1	178.5	-176.7	0	0	0	0	111.2	L179 E181 D185 A186 T187 T268 G270 A359	L179-V183 WeakPolarHBondContact O-CG2 3.3Å; L179-V183 PolarHBondContact O-N 2.91Å; E181-V183 VanDerWaalsContact C-N 3.28Å; E181-V183 PolarHBondContact O-N 3.2Å; V183-D185 VanDerWaalsContact C-N 3.35Å; V183-A186 PolarHBondContact O-N 3.07Å; V183-T187 PolarHBondContact O-N 3.3Å; V183-T187 PolarHBondContact O-OG1 2.89Å; V183-T268 VanDerWaalsContact CG1-O 3.25Å; V183-T268 WeakPolarHBondContact CG1-O 3.29Å; V183-T268 WeakPolarHBondContact CG1-OG1 3.29Å; V183-T268 PolarHBondContact O-OG1 2.82Å; V183-G270 VanDerWaalsContact CG2-CA 3.45Å; V183-G270 VanDerWaalsContact CG2-N 3.32Å; V183-A359 HydrophobicContact CB-CB 4.28Å; V183-A359 HydrophobicContact CG2-CB 3.91Å
184	K	98.9	Very high	98.6	Very high	63 Å²	63	48.3 Å²	48.3	27%	0.274	22%	0.224	S	C	.	.	H	α-helix	trans	-63	-44.7	175.7	-167.5	172.2	177.4	171.1	0	111.1	V180 E181 T187 N188 W361 D380	V180-K184 WeakPolarHBondContact O-CB 3.32Å; V180-K184 PolarHBondContact O-N 3.01Å; E181-K184 WeakPolarHBondContact O-CB 3.41Å; E181-K184 PolarHBondContact O-N 3.49Å; K184-T187 PolarHBondContact O-N 3.15Å; K184-N188 WeakPolarHBondContact O-CB 3.32Å; K184-N188 PolarHBondContact O-N 3.29Å; K184-N188 PolarHBondContact O-ND2 2.91Å; K184-W361 HydrophobicContact CB-CD2 4.19Å; K184-W361 HydrophobicContact CB-CG 4.03Å; K184-W361 HydrophobicContact CB-CZ2 4.5Å; K184-W361 HydrophobicContact CD-CD2 4.42Å; K184-W361 HydrophobicContact CD-CH2 4.36Å; K184-W361 HydrophobicContact CD-CZ2 4Å; K184-W361 HydrophobicContact CG-CD2 4.1Å; K184-W361 HydrophobicContact CG-CG 4.24Å; K184-W361 HydrophobicContact CG-CZ2 4.47Å; K184-D380 PolarHBondContact NZ-O 2.68Å
185	D	98.9	Very high	98.7	Very high	60 Å²	60	38.8 Å²	38.8	32%	0.321	19%	0.187	S	C	.	.	H	α-helix	trans	-66	-42.4	179.1	-166.3	23.3	0	0	0	111.3	E181 V183 N188 T189 V210 Y214	E181-D185 PolarHBondContact O-N 3.42Å; V183-D185 VanDerWaalsContact C-N 3.35Å; D185-N188 PolarHBondContact O-N 2.84Å; D185-T189 WeakPolarHBondContact O-CB 3.25Å; D185-T189 PolarHBondContact O-N 2.73Å; D185-T189 PolarHBondContact O-OG1 2.97Å; D185-V210 HydrophobicContact CB-CG1 4.11Å; D185-V210 WeakPolarHBondContact OD2-CG1 3.36Å; D185-Y214 HydrophobicContact CB-CE2 4.25Å; D185-Y214 PolarHBondContact OD2-OH 2.81Å
186	A	98.9	Very high	98.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.9	-47.1	173.5	0	0	0	0	0	112.3	A182 V183 N188 T189 G190 I207 M211 T268	A182-A186 WeakPolarHBondContact O-CB 3.42Å; A182-A186 PolarHBondContact O-N 3.07Å; V183-A186 PolarHBondContact O-N 3.07Å; A186-N188 PolarHBondContact O-N 3.3Å; A186-T189 WeakPolarHBondContact O-CB 3.45Å; A186-T189 PolarHBondContact O-N 3.43Å; A186-G190 PolarHBondContact O-N 3.31Å; A186-I207 HydrophobicContact CB-CG2 4.31Å; A186-M211 HydrophobicContact CB-CB 3.8Å; A186-M211 HydrophobicContact CB-CE 3.87Å; A186-M211 HydrophobicContact CB-CG 4.08Å; A186-T268 HydrophobicContact CB-CG2 4.49Å
187	T	98.9	Very high	98.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-45.1	175.2	-67.4	0	0	0	0	111.6	V183 K184 T189 G190 I191 I266 T268 W361	V183-T187 PolarHBondContact O-N 3.3Å; V183-T187 PolarHBondContact O-OG1 2.89Å; K184-T187 PolarHBondContact O-N 3.15Å; T187-T189 VanDerWaalsContact C-N 3.3Å; T187-T189 PolarHBondContact O-N 2.85Å; T187-G190 PolarHBondContact O-N 3.04Å; T187-I191 HydrophobicContact CG2-CD1 3.88Å; T187-I191 HydrophobicContact CG2-CG1 4.46Å; T187-I191 WeakPolarHBondContact O-CG1 3.42Å; T187-I191 PolarHBondContact O-N 3.37Å; T187-I266 WeakPolarHBondContact CG2-O 3.45Å; T187-T268 PolarHBondContact N-OG1 3.02Å; T187-T268 WeakPolarHBondContact OG1-CB 3.33Å; T187-T268 WeakPolarHBondContact OG1-CG2 3.5Å; T187-T268 PolarHBondContact OG1-N 3.18Å; T187-T268 PolarHBondContact OG1-OG1 3.02Å; T187-W361 HydrophobicContact CG2-CB 4.15Å; T187-W361 WeakPolarHBondContact CG2-O 3.36Å; T187-W361 PolarHBondContact OG1-O 3.22Å
188	N	98.9	Very high	98.6	Very high	46 Å²	46	36.7 Å²	36.7	25%	0.246	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-32.7	178.2	-79.2	-35.1	0	0	0	113.2	K184 D185 A186 I191 K192 R377	K184-N188 WeakPolarHBondContact O-CB 3.32Å; K184-N188 PolarHBondContact O-N 3.29Å; K184-N188 PolarHBondContact O-ND2 2.91Å; D185-N188 PolarHBondContact O-N 2.84Å; A186-N188 PolarHBondContact O-N 3.3Å; N188-I191 PolarHBondContact O-N 2.85Å; N188-K192 VanDerWaalsContact O-CB 3.3Å; N188-K192 WeakPolarHBondContact O-CB 3.42Å; N188-K192 PolarHBondContact O-N 2.9Å; N188-R377 VanDerWaalsContact OD1-CZ 3.31Å; N188-R377 PolarHBondContact OD1-NH1 3.27Å; N188-R377 PolarHBondContact OD1-NH2 3.39Å
189	T	98.8	Very high	98.5	Very high	28 Å²	28	35.9 Å²	35.9	17%	0.172	17%	0.168	C	C	.	.	H	α-helix	trans	-63.9	-46.5	171.7	-64	0	0	0	0	110.7	D185 A186 T187 I191 K192 E193 V206 V210	D185-T189 WeakPolarHBondContact O-CB 3.25Å; D185-T189 PolarHBondContact O-N 2.73Å; D185-T189 PolarHBondContact O-OG1 2.97Å; A186-T189 WeakPolarHBondContact O-CB 3.45Å; A186-T189 PolarHBondContact O-N 3.43Å; T187-T189 VanDerWaalsContact C-N 3.3Å; T187-T189 PolarHBondContact O-N 2.85Å; T189-I191 VanDerWaalsContact C-N 3.35Å; T189-I191 PolarHBondContact O-N 3.08Å; T189-K192 PolarHBondContact O-N 2.93Å; T189-E193 PolarHBondContact O-N 3.02Å; T189-V206 HydrophobicContact CG2-CB 4.07Å; T189-V206 HydrophobicContact CG2-CG2 3.96Å; T189-V210 HydrophobicContact CG2-CB 4.45Å; T189-V210 HydrophobicContact CG2-CG2 3.77Å
190	G	98.6	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.8	-45.9	173.7	0	0	0	0	0	112.7	A186 T187 K192 E193 A194	A186-G190 PolarHBondContact O-N 3.31Å; T187-G190 PolarHBondContact O-N 3.04Å; G190-K192 PolarHBondContact O-N 3.47Å; G190-E193 PolarHBondContact O-N 3.47Å; G190-A194 WeakPolarHBondContact O-CB 3.42Å; G190-A194 PolarHBondContact O-N 3.38Å
191	I	98.7	Very high	98.5	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-44.2	176.8	-69.7	165.3	0	0	0	110.8	T187 N188 T189 I266 H363 I365 K372 V374	T187-I191 HydrophobicContact CG2-CD1 3.88Å; T187-I191 HydrophobicContact CG2-CG1 4.46Å; T187-I191 WeakPolarHBondContact O-CG1 3.42Å; T187-I191 PolarHBondContact O-N 3.37Å; N188-I191 PolarHBondContact O-N 2.85Å; T189-I191 VanDerWaalsContact C-N 3.35Å; T189-I191 PolarHBondContact O-N 3.08Å; I191-I266 HydrophobicContact CG1-CB 3.86Å; I191-I266 HydrophobicContact CG1-CG1 4.26Å; I191-I266 HydrophobicContact CG1-CG2 3.84Å; I191-H363 HydrophobicContact CD1-CB 3.79Å; I191-I365 HydrophobicContact CG1-CG2 4.41Å; I191-I365 HydrophobicContact CG2-CG2 4.27Å; I191-K372 WeakPolarHBondContact O-CE 3.49Å; I191-K372 PolarHBondContact O-NZ 3.01Å; I191-V374 HydrophobicContact CD1-CG1 4.42Å; I191-V374 HydrophobicContact CG2-CG1 4.33Å; I191-V374 HydrophobicContact CG2-CG2 3.54Å
192	K	98.4	Very high	98.4	Very high	163 Å²	163	33.1 Å²	33.1	71%	0.709	16%	0.158	S	C	*	.	H	α-helix	trans	-62.1	-44.4	179.6	-178.7	-177	174.9	-172.7	0	111.3	N188 T189 G190 K372	N188-K192 VanDerWaalsContact O-CB 3.3Å; N188-K192 WeakPolarHBondContact O-CB 3.42Å; N188-K192 PolarHBondContact O-N 2.9Å; T189-K192 PolarHBondContact O-N 2.93Å; G190-K192 PolarHBondContact O-N 3.47Å; K192-K372 PolarHBondContact O-NZ 2.74Å
193	E	97.9	Very high	98.4	Very high	67 Å²	67	33.1 Å²	33.1	31%	0.313	16%	0.158	S	C	.	.	H	α-helix	trans	-73.4	-33.5	-177.9	-166.8	57	-147	0	0	112.7	T189 G190 V198 I203 V206	T189-E193 PolarHBondContact O-N 3.02Å; G190-E193 PolarHBondContact O-N 3.47Å; E193-V198 WeakPolarHBondContact O-CG2 3.26Å; E193-I203 HydrophobicContact CB-CG1 4.44Å; E193-I203 HydrophobicContact CG-CG1 4.21Å; E193-V206 HydrophobicContact CB-CG2 3.96Å; E193-V206 HydrophobicContact CG-CG2 3.95Å
194	A	98.3	Very high	98.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.			trans	-54.9	143.8	179.9	0	0	0	0	0	112.9	G190 I203 M258 I266 I365 K372	G190-A194 WeakPolarHBondContact O-CB 3.42Å; G190-A194 PolarHBondContact O-N 3.38Å; A194-I203 HydrophobicContact CB-CD1 4.12Å; A194-M258 HydrophobicContact CB-CE 3.95Å; A194-M258 HydrophobicContact CB-SD 3.82Å; A194-I266 HydrophobicContact CB-CD1 4.38Å; A194-I365 HydrophobicContact CB-CD1 3.55Å; A194-K372 WeakPolarHBondContact O-CD 3.34Å; A194-K372 WeakPolarHBondContact O-CE 3.34Å; A194-K372 PolarHBondContact O-NZ 3.18Å
195	G	98.3	Very high	98.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.17	C	C	.	.			trans	169	165.5	179.6	0	0	0	0	0	113.2	D197 V198 M258	G195-D197 PolarHBondContact O-N 3.45Å; G195-V198 WeakPolarHBondContact O-CB 3.44Å; G195-V198 VanDerWaalsContact O-CG2 3.29Å; G195-V198 WeakPolarHBondContact O-CG2 3.46Å; G195-V198 PolarHBondContact O-N 3.39Å; G195-M258 VanDerWaalsContact O-CB 3.29Å; G195-M258 WeakPolarHBondContact O-CB 3.24Å
196	I	98.2	Very high	98.3	Very high	18 Å²	18	34.2 Å²	34.2	9%	0.092	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	138	176.5	-61.8	169.9	0	0	0	109.7	Y44 V49 V198 E260 L367	Y44-I196 HydrophobicContact CE1-CB 4.37Å; Y44-I196 HydrophobicContact CE1-CD1 4.14Å; Y44-I196 HydrophobicContact CE1-CG1 3.84Å; Y44-I196 HydrophobicContact CE2-CD1 3.84Å; Y44-I196 HydrophobicContact CE2-CG1 4.42Å; Y44-I196 VanDerWaalsContact CZ-CD1 3.49Å; Y44-I196 VanDerWaalsContact OH-CD1 3.26Å; Y44-I196 WeakPolarHBondContact OH-CD1 3.47Å; V49-I196 HydrophobicContact CG1-CB 3.99Å; V49-I196 HydrophobicContact CG1-CD1 4.43Å; V49-I196 HydrophobicContact CG1-CG2 4.41Å; I196-V198 PolarHBondContact O-N 2.86Å; I196-E260 HydrophobicContact CD1-CB 3.78Å; I196-E260 HydrophobicContact CD1-CG 3.95Å; I196-E260 HydrophobicContact CG1-CB 4.33Å; I196-L367 HydrophobicContact CG1-CB 4.18Å
197	D	97.5	Very high	98.3	Very high	72 Å²	72	34.2 Å²	34.2	39%	0.385	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	2.5	-176.4	-75.9	-52.8	0	0	0	116.2	K46 G195 K257 M258	K46-D197 HydrophobicContact CD-CB 4.39Å; K46-D197 PolarHBondContact NZ-O 3.18Å; G195-D197 PolarHBondContact O-N 3.45Å; D197-K257 IonicContact OD1-NZ 3.57Å; D197-M258 PolarHBondContact N-O 2.85Å
198	V	97.8	Very high	98.3	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.018	17%	0.172	C	C	.	.			trans	-76.1	138.6	174.4	179.2	0	0	0	0	109.5	E193 G195 I196 I203 K257 M258	E193-V198 WeakPolarHBondContact O-CG2 3.26Å; G195-V198 WeakPolarHBondContact O-CB 3.44Å; G195-V198 VanDerWaalsContact O-CG2 3.29Å; G195-V198 WeakPolarHBondContact O-CG2 3.46Å; G195-V198 PolarHBondContact O-N 3.39Å; I196-V198 PolarHBondContact O-N 2.86Å; V198-I203 HydrophobicContact CG1-CD1 3.9Å; V198-I203 HydrophobicContact CG1-CG1 3.74Å; V198-K257 CarbonylContact O-C 3.57Å; V198-K257 VanDerWaalsContact O-CA 3.27Å; V198-K257 WeakPolarHBondContact O-CA 3.34Å; V198-M258 PolarHBondContact O-N 2.8Å
199	R	98	Very high	98.3	Very high	109 Å²	109	40.2 Å²	40.2	41%	0.411	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-82.1	136.7	177.7	-61.1	179.2	-66.8	170.8	5.2	109.6	C201 D202 I203 V256 K257	R199-C201 VanDerWaalsContact C-N 3.31Å; R199-C201 PolarHBondContact O-N 2.94Å; R199-D202 HydrophobicContact CB-CB 4.46Å; R199-D202 IonicContact CZ-OD1 2.99Å; R199-D202 IonicContact CZ-OD2 2.79Å; R199-D202 IonicContact NE-OD1 3.45Å; R199-D202 PolarHBondContact NE-OD1 3.36Å; R199-D202 IonicContact NE-OD2 3.39Å; R199-D202 PolarHBondContact NE-OD2 2.98Å; R199-D202 IonicContact NH2-OD1 3.97Å; R199-D202 PolarHBondContact NH2-OD1 3.48Å; R199-D202 IonicContact NH2-OD2 3.88Å; R199-D202 PolarHBondContact NH2-OD2 2.67Å; R199-D202 WeakPolarHBondContact O-CB 3.4Å; R199-D202 PolarHBondContact O-N 3.47Å; R199-D202 VanDerWaalsContact O-N 3.11Å; R199-I203 PolarHBondContact O-N 3.33Å; R199-V256 CarbonylContact C-O 3.44Å; R199-V256 WeakPolarHBondContact CA-O 3.42Å; R199-K257 HydrophobicContact CG-CG 4.17Å
200	L	98.1	Very high	98.3	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-39.6	-179.3	-64.2	176.8	0	0	0	112	D202 I203 G204 K245 T246 V247 P248 V256 M258 F264	L200-D202 VanDerWaalsContact C-N 3.28Å; L200-D202 PolarHBondContact O-N 3.1Å; L200-I203 HydrophobicContact CD2-CD1 4.44Å; L200-I203 WeakPolarHBondContact O-CB 3.46Å; L200-I203 PolarHBondContact O-N 3.18Å; L200-G204 PolarHBondContact O-N 3.48Å; L200-K245 HydrophobicContact CD1-CB 4.08Å; L200-T246 WeakPolarHBondContact CD1-O 3.36Å; L200-V247 HydrophobicContact CD2-CG2 4.04Å; L200-P248 VanDerWaalsContact O-CD 3.29Å; L200-P248 WeakPolarHBondContact O-CD 3.48Å; L200-P248 WeakPolarHBondContact O-CG 3.45Å; L200-V256 HydrophobicContact CD1-CB 3.99Å; L200-V256 HydrophobicContact CD1-CG1 3.94Å; L200-V256 WeakPolarHBondContact CG-O 3.46Å; L200-V256 PolarHBondContact N-O 3.39Å; L200-M258 HydrophobicContact CD2-CE 3.68Å; L200-M258 HydrophobicContact CD2-CG 3.7Å; L200-M258 HydrophobicContact CD2-SD 4.48Å; L200-F264 HydrophobicContact CD2-CE1 4.16Å; L200-F264 HydrophobicContact CD2-CZ 4.3Å
201	C	98.1	Very high	98.3	Very high	16 Å²	16	40.2 Å²	40.2	11%	0.108	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-33.6	175.4	62.1	0	0	0	0	114.2	R199 I203 G204 E205 E254	R199-C201 VanDerWaalsContact C-N 3.31Å; R199-C201 PolarHBondContact O-N 2.94Å; C201-I203 VanDerWaalsContact C-N 3.33Å; C201-G204 PolarHBondContact O-N 3.4Å; C201-E205 PolarHBondContact O-N 3.22Å; C201-E205 VanDerWaalsContact O-N 3.08Å; C201-E254 PolarHBondContact N-O 2.66Å
202	D	98.1	Very high	98.3	Very high	39 Å²	39	43 Å²	43	21%	0.209	21%	0.209	C	C	.	.	H	α-helix	trans	-70	-36.6	-179.1	-61.5	-8.8	0	0	0	110.3	R199 L200 E205 V206	R199-D202 HydrophobicContact CB-CB 4.46Å; R199-D202 IonicContact CZ-OD1 2.99Å; R199-D202 IonicContact CZ-OD2 2.79Å; R199-D202 IonicContact NE-OD1 3.45Å; R199-D202 PolarHBondContact NE-OD1 3.36Å; R199-D202 IonicContact NE-OD2 3.39Å; R199-D202 PolarHBondContact NE-OD2 2.98Å; R199-D202 IonicContact NH2-OD1 3.97Å; R199-D202 PolarHBondContact NH2-OD1 3.48Å; R199-D202 IonicContact NH2-OD2 3.88Å; R199-D202 PolarHBondContact NH2-OD2 2.67Å; R199-D202 WeakPolarHBondContact O-CB 3.4Å; R199-D202 PolarHBondContact O-N 3.47Å; R199-D202 VanDerWaalsContact O-N 3.11Å; L200-D202 VanDerWaalsContact C-N 3.28Å; L200-D202 PolarHBondContact O-N 3.1Å; D202-E205 PolarHBondContact O-N 2.87Å; D202-V206 PolarHBondContact O-N 3.09Å
203	I	98.3	Very high	98.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-44.3	174.7	-60.6	170.8	0	0	0	110	E193 A194 V198 R199 L200 C201 E205 V206 I207 V247 M258	E193-I203 HydrophobicContact CB-CG1 4.44Å; E193-I203 HydrophobicContact CG-CG1 4.21Å; A194-I203 HydrophobicContact CB-CD1 4.12Å; V198-I203 HydrophobicContact CG1-CD1 3.9Å; V198-I203 HydrophobicContact CG1-CG1 3.74Å; R199-I203 PolarHBondContact O-N 3.33Å; L200-I203 HydrophobicContact CD2-CD1 4.44Å; L200-I203 WeakPolarHBondContact O-CB 3.46Å; L200-I203 PolarHBondContact O-N 3.18Å; C201-I203 VanDerWaalsContact C-N 3.33Å; I203-E205 VanDerWaalsContact C-N 3.33Å; I203-E205 PolarHBondContact O-N 3.15Å; I203-V206 VanDerWaalsContact O-CG2 3.24Å; I203-V206 WeakPolarHBondContact O-CG2 3.32Å; I203-V206 PolarHBondContact O-N 3.15Å; I203-I207 HydrophobicContact CG2-CD1 3.64Å; I203-I207 HydrophobicContact CG2-CG1 4.35Å; I203-I207 WeakPolarHBondContact O-CB 3.35Å; I203-I207 WeakPolarHBondContact O-CG1 3.31Å; I203-I207 PolarHBondContact O-N 3.46Å; I203-V247 HydrophobicContact CB-CG1 4.34Å; I203-V247 HydrophobicContact CG2-CG1 3.75Å; I203-M258 HydrophobicContact CD1-CE 3.32Å; I203-M258 HydrophobicContact CD1-SD 3.69Å
204	G	98.5	Very high	98.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-35.9	177.9	0	0	0	0	0	113.8	L200 C201 E208 P248 I249 V250	L200-G204 PolarHBondContact O-N 3.48Å; C201-G204 PolarHBondContact O-N 3.4Å; G204-E208 PolarHBondContact O-N 2.89Å; G204-P248 WeakPolarHBondContact CA-O 3.42Å; G204-P248 PolarHBondContact N-O 3.41Å; G204-I249 CarbonylContact O-C 3.47Å; G204-V250 VanDerWaalsContact C-C 3.47Å; G204-V250 CarbonylContact C-O 3.58Å; G204-V250 WeakPolarHBondContact CA-O 3.34Å; G204-V250 CarbonylContact O-C 3.49Å; G204-V250 VanDerWaalsContact O-C 3.29Å; G204-V250 WeakPolarHBondContact O-CA 3.49Å; G204-V250 PolarHBondContact O-N 2.92Å
205	E	98.6	Very high	98.4	Very high	110 Å²	110	45.3 Å²	45.3	51%	0.514	23%	0.229	S	C	.	.	H	α-helix	trans	-65.1	-47.6	176.8	-175.7	169.8	174.8	0	0	112.1	C201 D202 I203 E208 E209 K251	C201-E205 PolarHBondContact O-N 3.22Å; C201-E205 VanDerWaalsContact O-N 3.08Å; D202-E205 PolarHBondContact O-N 2.87Å; I203-E205 VanDerWaalsContact C-N 3.33Å; I203-E205 PolarHBondContact O-N 3.15Å; E205-E208 PolarHBondContact O-N 3.41Å; E205-E209 PolarHBondContact O-N 3.25Å; E205-K251 HydrophobicContact CB-CB 3.93Å; E205-K251 HydrophobicContact CG-CB 3.98Å
206	V	98.4	Very high	98.4	Very high	35 Å²	35	45.4 Å²	45.4	21%	0.212	23%	0.23	C	C	.	.	H	α-helix	trans	-70.7	-32.8	179.5	-60.8	0	0	0	0	112.7	T189 E193 D202 I203 E209 V210	T189-V206 HydrophobicContact CG2-CB 4.07Å; T189-V206 HydrophobicContact CG2-CG2 3.96Å; E193-V206 HydrophobicContact CB-CG2 3.96Å; E193-V206 HydrophobicContact CG-CG2 3.95Å; D202-V206 PolarHBondContact O-N 3.09Å; I203-V206 VanDerWaalsContact O-CG2 3.24Å; I203-V206 WeakPolarHBondContact O-CG2 3.32Å; I203-V206 PolarHBondContact O-N 3.15Å; V206-E209 PolarHBondContact O-N 3.46Å; V206-V210 PolarHBondContact O-N 3.18Å; V206-V210 VanDerWaalsContact O-N 3.1Å
207	I	98.8	Very high	98.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-46.9	172.6	-74.3	169.7	0	0	0	110.1	A186 I203 M211 I249 T268	A186-I207 HydrophobicContact CB-CG2 4.31Å; I203-I207 HydrophobicContact CG2-CD1 3.64Å; I203-I207 HydrophobicContact CG2-CG1 4.35Å; I203-I207 WeakPolarHBondContact O-CB 3.35Å; I203-I207 WeakPolarHBondContact O-CG1 3.31Å; I203-I207 PolarHBondContact O-N 3.46Å; I207-M211 HydrophobicContact CG2-CE 3.66Å; I207-M211 VanDerWaalsContact O-CB 3.25Å; I207-M211 WeakPolarHBondContact O-CB 3.28Å; I207-M211 PolarHBondContact O-N 3.43Å; I207-I249 HydrophobicContact CD1-CG2 4.38Å; I207-I249 HydrophobicContact CG2-CB 3.79Å; I207-I249 HydrophobicContact CG2-CG2 4.33Å; I207-T268 HydrophobicContact CD1-CG2 3.9Å; I207-T268 HydrophobicContact CG1-CG2 4.25Å; I207-T268 HydrophobicContact CG2-CG2 3.62Å
208	E	98.8	Very high	98.3	Very high	37 Å²	37	47.5 Å²	47.5	17%	0.173	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-44.3	177.7	-178.7	179.1	176.6	0	0	111.8	G204 E205 V210 M211 T212 P227 K251	G204-E208 PolarHBondContact O-N 2.89Å; E205-E208 PolarHBondContact O-N 3.41Å; E208-V210 PolarHBondContact O-N 2.91Å; E208-M211 PolarHBondContact O-N 3.02Å; E208-T212 HydrophobicContact CG-CG2 3.92Å; E208-T212 VanDerWaalsContact O-CB 3.3Å; E208-T212 WeakPolarHBondContact O-CB 3.49Å; E208-T212 VanDerWaalsContact O-CG2 3.29Å; E208-T212 WeakPolarHBondContact O-CG2 3.32Å; E208-T212 PolarHBondContact O-N 2.88Å; E208-T212 PolarHBondContact O-OG1 2.8Å; E208-P227 HydrophobicContact CB-CG 4.27Å; E208-P227 HydrophobicContact CG-CG 4.11Å; E208-K251 WeakPolarHBondContact OE1-CE 3.32Å; E208-K251 IonicContact OE1-NZ 2.98Å; E208-K251 WeakPolarHBondContact OE2-CB 3.26Å; E208-K251 WeakPolarHBondContact OE2-CE 3.45Å; E208-K251 WeakPolarHBondContact OE2-CG 3.14Å; E208-K251 PolarHBondContact OE2-N 2.7Å
209	E	98.7	Very high	98.2	Very high	137 Å²	137	51.3 Å²	51.3	64%	0.64	28%	0.277	S	S	*	.	H	α-helix	trans	-55.9	-52.5	178.7	-177.2	-179.5	-176.3	0	0	111	E205 V206 T212 S213	E205-E209 PolarHBondContact O-N 3.25Å; V206-E209 PolarHBondContact O-N 3.46Å; E209-T212 PolarHBondContact O-OG1 3.26Å; E209-S213 PolarHBondContact O-N 3.16Å
210	V	98.8	Very high	98.1	Very high	29 Å²	29	49.1 Å²	49.1	18%	0.176	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-49.3	179.5	170.4	0	0	0	0	110.7	D185 T189 V206 E208 T212 S213 Y214	D185-V210 HydrophobicContact CB-CG1 4.11Å; D185-V210 WeakPolarHBondContact OD2-CG1 3.36Å; T189-V210 HydrophobicContact CG2-CB 4.45Å; T189-V210 HydrophobicContact CG2-CG2 3.77Å; V206-V210 PolarHBondContact O-N 3.18Å; V206-V210 VanDerWaalsContact O-N 3.1Å; E208-V210 PolarHBondContact O-N 2.91Å; V210-T212 VanDerWaalsContact C-N 3.35Å; V210-T212 PolarHBondContact O-N 2.63Å; V210-S213 WeakPolarHBondContact O-CB 3.49Å; V210-S213 PolarHBondContact O-N 3.07Å; V210-S213 VanDerWaalsContact O-N 3.15Å; V210-S213 PolarHBondContact O-OG 3.43Å; V210-Y214 HydrophobicContact CG1-CE2 4.25Å; V210-Y214 VanDerWaalsContact O-CD2 3.29Å; V210-Y214 WeakPolarHBondContact O-CD2 3.5Å
211	M	98.7	Very high	98.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-41.3	-175.9	-160.2	-177.1	-36.2	0	0	112.7	A186 I207 E208 S213 Y214 V225 P227 G270	A186-M211 HydrophobicContact CB-CB 3.8Å; A186-M211 HydrophobicContact CB-CE 3.87Å; A186-M211 HydrophobicContact CB-CG 4.08Å; I207-M211 HydrophobicContact CG2-CE 3.66Å; I207-M211 VanDerWaalsContact O-CB 3.25Å; I207-M211 WeakPolarHBondContact O-CB 3.28Å; I207-M211 PolarHBondContact O-N 3.43Å; E208-M211 PolarHBondContact O-N 3.02Å; M211-S213 PolarHBondContact O-N 2.83Å; M211-Y214 PolarHBondContact O-N 3.3Å; M211-V225 HydrophobicContact CG-CG1 3.81Å; M211-V225 HydrophobicContact SD-CG1 4.3Å; M211-P227 HydrophobicContact CB-CG 4.23Å; M211-P227 HydrophobicContact CE-CB 3.65Å; M211-P227 HydrophobicContact CE-CG 3.71Å; M211-P227 HydrophobicContact CG-CG 4.44Å; M211-P227 WeakPolarHBondContact SD-CA 3.22Å; M211-P227 HydrophobicContact SD-CB 3.82Å; M211-P227 HydrophobicContact SD-CG 3.71Å; M211-G270 VanDerWaalsContact SD-CA 3.6Å
212	T	98.5	Very high	98.1	Very high	64 Å²	64	57.7 Å²	57.7	39%	0.393	33%	0.331	S	S	.	.	H	α-helix	trans	-77.8	-8.2	-179.5	60.5	0	0	0	0	113.5	E208 E209 V210 Y214 P227	E208-T212 HydrophobicContact CG-CG2 3.92Å; E208-T212 VanDerWaalsContact O-CB 3.3Å; E208-T212 WeakPolarHBondContact O-CB 3.49Å; E208-T212 VanDerWaalsContact O-CG2 3.29Å; E208-T212 WeakPolarHBondContact O-CG2 3.32Å; E208-T212 PolarHBondContact O-N 2.88Å; E208-T212 PolarHBondContact O-OG1 2.8Å; E209-T212 PolarHBondContact O-OG1 3.26Å; V210-T212 VanDerWaalsContact C-N 3.35Å; V210-T212 PolarHBondContact O-N 2.63Å; T212-Y214 PolarHBondContact O-N 2.87Å; T212-P227 HydrophobicContact CG2-CG 4.29Å
213	S	98.6	Very high	98.1	Very high	88 Å²	88	58 Å²	58	62%	0.615	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-15.8	171.5	79.2	0	0	0	0	113.5	E209 V210 M211	E209-S213 PolarHBondContact O-N 3.16Å; V210-S213 WeakPolarHBondContact O-CB 3.49Å; V210-S213 PolarHBondContact O-N 3.07Å; V210-S213 VanDerWaalsContact O-N 3.15Å; V210-S213 PolarHBondContact O-OG 3.43Å; M211-S213 PolarHBondContact O-N 2.83Å
214	Y	98.8	Very high	98.1	Very high	54 Å²	54	61.5 Å²	61.5	21%	0.212	35%	0.352	C	S	.	.			trans	-92.2	142.6	178.7	-72	-103.9	0	0	0	112.4	E181 A182 D185 V210 M211 T212 V225	E181-Y214 HydrophobicContact CG-CE1 4.33Å; A182-Y214 HydrophobicContact CB-CD1 3.64Å; A182-Y214 HydrophobicContact CB-CD2 3.73Å; A182-Y214 HydrophobicContact CB-CE1 4.26Å; A182-Y214 HydrophobicContact CB-CE2 4.35Å; A182-Y214 HydrophobicContact CB-CG 3.35Å; D185-Y214 HydrophobicContact CB-CE2 4.25Å; D185-Y214 PolarHBondContact OD2-OH 2.81Å; V210-Y214 HydrophobicContact CG1-CE2 4.25Å; V210-Y214 VanDerWaalsContact O-CD2 3.29Å; V210-Y214 WeakPolarHBondContact O-CD2 3.5Å; M211-Y214 PolarHBondContact O-N 3.3Å; T212-Y214 PolarHBondContact O-N 2.87Å; Y214-V225 PolarHBondContact O-N 3.26Å; Y214-V225 VanDerWaalsContact O-N 3.12Å
215	E	98.1	Very high	98.1	Very high	135 Å²	135	61.5 Å²	61.5	63%	0.631	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.9	165.1	63.4	179.5	-170.3	0	0	110.7	V222 Y223	E215-V222 HydrophobicContact CB-CG1 4.14Å; E215-Y223 WeakPolarHBondContact CA-O 3.44Å
216	V	98.2	Very high	98.1	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.2	-178	-57.7	0	0	0	0	110.6	K178 L179 I218 V222 Y223 V225 T272	K178-V216 HydrophobicContact CB-CG1 3.76Å; L179-V216 HydrophobicContact CB-CG1 4.11Å; V216-I218 HydrophobicContact CG2-CD1 4.06Å; V216-I218 HydrophobicContact CG2-CG1 4.33Å; V216-V222 CarbonylContact O-C 3.45Å; V216-V222 VanDerWaalsContact O-CA 3.29Å; V216-V222 WeakPolarHBondContact O-CA 3.33Å; V216-Y223 PolarHBondContact N-O 3.29Å; V216-Y223 PolarHBondContact O-N 2.71Å; V216-V225 HydrophobicContact CG1-CG2 3.72Å; V216-V225 HydrophobicContact CG2-CG2 4.37Å; V216-T272 HydrophobicContact CG2-CG2 3.95Å
217	E	98.2	Very high	98.1	Very high	124 Å²	124	58.9 Å²	58.9	58%	0.579	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.2	173.1	-171.9	-178.8	162	0	0	109.3	T175 K221 V222	T175-E217 PolarHBondContact OG1-O 3.44Å; E217-K221 WeakPolarHBondContact CA-O 3.36Å; E217-V222 HydrophobicContact CB-CG2 4.43Å; E217-V222 HydrophobicContact CG-CG2 4.39Å
218	I	97.4	Very high	98.1	Very high	9 Å²	9	58.9 Å²	58.9	5%	0.046	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	122.4	180	-56.9	172.5	0	0	0	108.4	T175 Y176 V216 G220 K221 Y223 T272 Y357	T175-I218 HydrophobicContact CG2-CG2 4.4Å; Y176-I218 HydrophobicContact CD1-CD1 3.82Å; Y176-I218 HydrophobicContact CD1-CG1 4.44Å; Y176-I218 HydrophobicContact CE1-CD1 3.98Å; Y176-I218 HydrophobicContact CE1-CG2 3.95Å; V216-I218 HydrophobicContact CG2-CD1 4.06Å; V216-I218 HydrophobicContact CG2-CG1 4.33Å; I218-G220 VanDerWaalsContact C-N 3.26Å; I218-G220 PolarHBondContact O-N 3.42Å; I218-K221 PolarHBondContact N-O 3.17Å; I218-K221 PolarHBondContact O-N 2.8Å; I218-Y223 HydrophobicContact CB-CE2 4.22Å; I218-T272 HydrophobicContact CD1-CG2 3.99Å; I218-Y357 HydrophobicContact CD1-CD2 3.89Å; I218-Y357 HydrophobicContact CG2-CD2 4.07Å; I218-Y357 HydrophobicContact CG2-CE2 3.62Å
219	G	94.3	Very high	98.1	Very high	83 Å²	83	63.2 Å²	63.2	86%	0.856	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	33.8	-177.1	0	0	0	0	0	113.5	K221	G219-K221 VanDerWaalsContact C-N 3.29Å; G219-K221 PolarHBondContact O-N 3.26Å
220	G	96	Very high	98.1	Very high	64 Å²	64	59.1 Å²	59.1	66%	0.66	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	12	-179.6	0	0	0	0	0	114.9	I218	I218-G220 VanDerWaalsContact C-N 3.26Å; I218-G220 PolarHBondContact O-N 3.42Å
221	K	97.5	Very high	98.1	Very high	119 Å²	119	58.5 Å²	58.5	52%	0.517	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.6	175.9	179.5	167.9	162.8	-162.2	0	110.4	E217 I218 G219 Y223	E217-K221 WeakPolarHBondContact CA-O 3.36Å; I218-K221 PolarHBondContact N-O 3.17Å; I218-K221 PolarHBondContact O-N 2.8Å; G219-K221 VanDerWaalsContact C-N 3.29Å; G219-K221 PolarHBondContact O-N 3.26Å; K221-Y223 HydrophobicContact CB-CE2 3.75Å; K221-Y223 HydrophobicContact CD-CE1 3.9Å; K221-Y223 HydrophobicContact CD-CE2 4.25Å; K221-Y223 WeakPolarHBondContact CD-OH 3.47Å; K221-Y223 VanDerWaalsContact CE-CE1 3.45Å; K221-Y223 HydrophobicContact CG-CD2 4.36Å; K221-Y223 HydrophobicContact CG-CE1 4.11Å; K221-Y223 HydrophobicContact CG-CE2 3.75Å; K221-Y223 WeakPolarHBondContact O-CD2 3.47Å; K221-Y223 WeakPolarHBondContact O-CE2 3.39Å
222	V	98.2	Very high	98.1	Very high	82 Å²	82	61 Å²	61	50%	0.497	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	134.9	175.5	-177.3	0	0	0	0	110.1	E215 V216 E217	E215-V222 HydrophobicContact CB-CG1 4.14Å; V216-V222 CarbonylContact O-C 3.45Å; V216-V222 VanDerWaalsContact O-CA 3.29Å; V216-V222 WeakPolarHBondContact O-CA 3.33Å; E217-V222 HydrophobicContact CB-CG2 4.43Å; E217-V222 HydrophobicContact CG-CG2 4.39Å
223	Y	98.4	Very high	98.1	Very high	45 Å²	45	58 Å²	58	18%	0.176	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.1	177.3	-57.1	-94.6	0	0	0	109.7	E215 V216 I218 K221 T272	E215-Y223 WeakPolarHBondContact CA-O 3.44Å; V216-Y223 PolarHBondContact N-O 3.29Å; V216-Y223 PolarHBondContact O-N 2.71Å; I218-Y223 HydrophobicContact CB-CE2 4.22Å; K221-Y223 HydrophobicContact CB-CE2 3.75Å; K221-Y223 HydrophobicContact CD-CE1 3.9Å; K221-Y223 HydrophobicContact CD-CE2 4.25Å; K221-Y223 WeakPolarHBondContact CD-OH 3.47Å; K221-Y223 VanDerWaalsContact CE-CE1 3.45Å; K221-Y223 HydrophobicContact CG-CD2 4.36Å; K221-Y223 HydrophobicContact CG-CE1 4.11Å; K221-Y223 HydrophobicContact CG-CE2 3.75Å; K221-Y223 WeakPolarHBondContact O-CD2 3.47Å; K221-Y223 WeakPolarHBondContact O-CE2 3.39Å; Y223-T272 WeakPolarHBondContact CD1-O 3.3Å; Y223-T272 HydrophobicContact CD2-CG2 4.42Å; Y223-T272 HydrophobicContact CG-CG2 4.16Å
224	P	98.1	Very high	98.1	Very high	73 Å²	73	54 Å²	54	47%	0.474	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	140.5	159.2	30.3	-32.7	0	0	0	108.9	K226	P224-K226 PolarHBondContact O-N 2.65Å
225	V	98.8	Very high	98.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.289	C	S	.	.			trans	-76.3	123.9	172.5	-174.7	0	0	0	0	108.4	L179 A182 M211 Y214 V216	L179-V225 HydrophobicContact CD1-CG1 3.81Å; L179-V225 HydrophobicContact CD1-CG2 4.07Å; A182-V225 HydrophobicContact CB-CB 4.39Å; A182-V225 HydrophobicContact CB-CG1 4.24Å; A182-V225 HydrophobicContact CB-CG2 4Å; M211-V225 HydrophobicContact CG-CG1 3.81Å; M211-V225 HydrophobicContact SD-CG1 4.3Å; Y214-V225 PolarHBondContact O-N 3.26Å; Y214-V225 VanDerWaalsContact O-N 3.12Å; V216-V225 HydrophobicContact CG1-CG2 3.72Å; V216-V225 HydrophobicContact CG2-CG2 4.37Å
226	K	98.9	Very high	98.1	Very high	81 Å²	81	46 Å²	46	35%	0.352	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.9	-177.8	-61	174.5	-167.1	165.6	0	110.4	P224 G270 S271 G273	P224-K226 PolarHBondContact O-N 2.65Å; K226-G270 CarbonylContact O-C 3.56Å; K226-G270 WeakPolarHBondContact O-CA 3.39Å; K226-S271 PolarHBondContact N-O 2.89Å; K226-S271 PolarHBondContact O-N 3.28Å; K226-G273 PolarHBondContact NZ-O 2.72Å
227	P	98.9	Very high	98.1	Very high	9 Å²	9	46.5 Å²	46.5	6%	0.058	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	140	165.8	-16	26.3	0	0	0	110.7	E208 M211 T212 R229 I249 V250 F269 G275	E208-P227 HydrophobicContact CB-CG 4.27Å; E208-P227 HydrophobicContact CG-CG 4.11Å; M211-P227 HydrophobicContact CB-CG 4.23Å; M211-P227 HydrophobicContact CE-CB 3.65Å; M211-P227 HydrophobicContact CE-CG 3.71Å; M211-P227 HydrophobicContact CG-CG 4.44Å; M211-P227 WeakPolarHBondContact SD-CA 3.22Å; M211-P227 HydrophobicContact SD-CB 3.82Å; M211-P227 HydrophobicContact SD-CG 3.71Å; T212-P227 HydrophobicContact CG2-CG 4.29Å; P227-R229 PolarHBondContact O-N 3.5Å; P227-I249 HydrophobicContact CB-CD1 4.12Å; P227-I249 HydrophobicContact CB-CG1 4.03Å; P227-I249 VanDerWaalsContact CB-O 3.32Å; P227-I249 WeakPolarHBondContact CB-O 3.49Å; P227-V250 HydrophobicContact CB-CG1 3.68Å; P227-V250 HydrophobicContact CG-CG1 4.08Å; P227-F269 CarbonylContact C-O 3.53Å; P227-F269 WeakPolarHBondContact CA-O 3.47Å; P227-G275 WeakPolarHBondContact O-CA 3.08Å
228	I	98.9	Very high	98.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.257	C	S	.	.			trans	-76.7	92.3	170.6	-56.1	-173.5	0	0	0	108.5	A132 N230 L231 I249 F269 V277 T358	A132-I228 HydrophobicContact CB-CD1 3.62Å; I228-N230 PolarHBondContact O-N 2.87Å; I228-L231 HydrophobicContact CB-CB 4.36Å; I228-L231 HydrophobicContact CB-CD1 4.13Å; I228-L231 HydrophobicContact CB-CG 4.29Å; I228-L231 HydrophobicContact CD1-CD1 4.12Å; I228-L231 HydrophobicContact CG2-CB 4.21Å; I228-L231 HydrophobicContact CG2-CD1 3.81Å; I228-L231 HydrophobicContact CG2-CG 3.73Å; I228-L231 PolarHBondContact O-N 2.91Å; I228-I249 WeakPolarHBondContact O-CD1 3.26Å; I228-F269 HydrophobicContact CB-CB 3.95Å; I228-F269 HydrophobicContact CD1-CB 3.71Å; I228-F269 HydrophobicContact CG1-CB 3.79Å; I228-F269 PolarHBondContact N-O 3.13Å; I228-V277 HydrophobicContact CD1-CG1 3.99Å; I228-V277 HydrophobicContact CG2-CB 4.23Å; I228-V277 HydrophobicContact CG2-CG1 3.61Å; I228-V277 HydrophobicContact CG2-CG2 3.95Å; I228-T358 HydrophobicContact CD1-CG2 3.86Å
229	R	98.5	Very high	98.2	Very high	128 Å²	128	45.8 Å²	45.8	48%	0.483	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-10.8	-165.2	72.2	-173.7	169.4	-89.3	0.6	116.6	P227 V250 K274 G275 Y276	P227-R229 PolarHBondContact O-N 3.5Å; R229-V250 HydrophobicContact CB-CG1 3.77Å; R229-V250 HydrophobicContact CB-CG2 4.07Å; R229-K274 PolarHBondContact NH1-O 3.26Å; R229-G275 WeakPolarHBondContact CG-O 3.46Å; R229-G275 PolarHBondContact N-O 3.4Å; R229-G275 PolarHBondContact NH1-O 2.93Å; R229-Y276 HydrophobicContact CG-CD2 3.86Å
230	N	98.4	Very high	98.4	Very high	52 Å²	52	44.7 Å²	44.7	28%	0.278	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	17.3	175.2	68.2	-45.7	0	0	0	113.4	I228 Y276 V277	I228-N230 PolarHBondContact O-N 2.87Å; N230-Y276 HydrophobicContact CB-CD2 3.93Å; N230-Y276 HydrophobicContact CB-CE2 3.62Å; N230-Y276 VanDerWaalsContact CG-CE2 3.48Å; N230-Y276 VanDerWaalsContact OD1-CA 3.31Å; N230-Y276 WeakPolarHBondContact OD1-CA 3.29Å; N230-Y276 WeakPolarHBondContact OD1-CD2 3.19Å; N230-V277 WeakPolarHBondContact ND2-CG2 3.44Å; N230-V277 PolarHBondContact ND2-O 2.84Å; N230-V277 WeakPolarHBondContact OD1-CG2 3.45Å; N230-V277 PolarHBondContact OD1-N 2.68Å
231	L	98.6	Very high	98.5	Very high	16 Å²	16	42.3 Å²	42.3	8%	0.084	21%	0.209	C	C	.	.			trans	-111.1	154.6	160.8	-66.1	-178.6	0	0	0	109	A132 I228 I249 F269 V277 L350	A132-L231 HydrophobicContact CB-CD1 3.83Å; I228-L231 HydrophobicContact CB-CB 4.36Å; I228-L231 HydrophobicContact CB-CD1 4.13Å; I228-L231 HydrophobicContact CB-CG 4.29Å; I228-L231 HydrophobicContact CD1-CD1 4.12Å; I228-L231 HydrophobicContact CG2-CB 4.21Å; I228-L231 HydrophobicContact CG2-CD1 3.81Å; I228-L231 HydrophobicContact CG2-CG 3.73Å; I228-L231 PolarHBondContact O-N 2.91Å; L231-I249 WeakPolarHBondContact O-CG1 3.49Å; L231-F269 HydrophobicContact CB-CD2 3.61Å; L231-F269 HydrophobicContact CB-CE2 3.89Å; L231-F269 HydrophobicContact CB-CG 4.32Å; L231-F269 HydrophobicContact CD1-CB 4.12Å; L231-F269 HydrophobicContact CD1-CD1 3.77Å; L231-F269 HydrophobicContact CD1-CD2 3.59Å; L231-F269 HydrophobicContact CD1-CE1 3.97Å; L231-F269 HydrophobicContact CD1-CE2 3.81Å; L231-F269 HydrophobicContact CD1-CG 3.55Å; L231-F269 HydrophobicContact CD1-CZ 3.99Å; L231-F269 HydrophobicContact CG-CD2 4.24Å; L231-F269 HydrophobicContact CG-CE2 4.4Å; L231-V277 HydrophobicContact CD1-CG1 4.29Å; L231-V277 HydrophobicContact CD1-CG2 4.24Å; L231-V277 HydrophobicContact CD2-CG2 3.83Å; L231-V277 HydrophobicContact CG-CG2 3.8Å; L231-L350 HydrophobicContact CD2-CD1 3.57Å
232	N	98.4	Very high	98.6	Very high	51 Å²	51	40 Å²	40	27%	0.273	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	149	-167.6	-57.1	107.8	0	0	0	108.9	V247 P248	N232-V247 CarbonylContact C-O 3.59Å; N232-V247 WeakPolarHBondContact CA-O 3.46Å; N232-V247 WeakPolarHBondContact CB-O 3.36Å; N232-P248 WeakPolarHBondContact ND2-CA 3.37Å
233	G	98.7	Very high	98.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	179.1	157.3	0	0	0	0	0	111.3	T246 V247 A265 E267	G233-T246 CarbonylContact O-C 3.53Å; G233-T246 WeakPolarHBondContact O-CA 3.29Å; G233-V247 PolarHBondContact N-O 3.23Å; G233-V247 PolarHBondContact O-N 3.47Å; G233-A265 CarbonylContact C-O 3.52Å; G233-A265 VanDerWaalsContact CA-O 3.3Å; G233-A265 WeakPolarHBondContact CA-O 3.47Å; G233-E267 VanDerWaalsContact CA-CG 3.5Å
234	H	98.8	Very high	98.4	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.028	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	156.7	-172	53.4	90.5	0	0	0	113.5	D165 I241 H242 K245 F264 A265 E267	D165-H234 IonicContact OD2-CE1 3.67Å; D165-H234 PolarHBondContact OD2-CE1 3.42Å; D165-H234 IonicContact OD2-NE2 2.82Å; D165-H234 PolarHBondContact OD2-NE2 3.39Å; H234-I241 PolarHBondContact CE1-O 2.73Å; H234-I241 PolarHBondContact ND1-O 3.34Å; H234-H242 AromaticContact CD2-CD2 3.51Å; H234-H242 AromaticContact CD2-NE2 3.75Å; H234-H242 AromaticContact CE1-CD2 3.75Å; H234-H242 AromaticContact CG-CD2 3.42Å; H234-H242 VanDerWaalsContact CG-CD2 3.42Å; H234-H242 AromaticContact ND1-CD2 3.58Å; H234-H242 AromaticContact NE2-CD2 3.69Å; H234-H242 AromaticContact NE2-NE2 3.72Å; H234-K245 CarbonylContact C-O 3.55Å; H234-K245 VanDerWaalsContact CA-O 3.27Å; H234-K245 WeakPolarHBondContact CA-O 3.37Å; H234-F264 CarbonylContact O-C 3.54Å; H234-F264 VanDerWaalsContact O-CA 3.29Å; H234-F264 WeakPolarHBondContact O-CA 3.25Å; H234-F264 WeakPolarHBondContact O-CD1 3.39Å; H234-A265 WeakPolarHBondContact CE1-CB 3.21Å; H234-A265 PolarHBondContact N-O 3.14Å; H234-A265 WeakPolarHBondContact NE2-CB 3.06Å; H234-A265 PolarHBondContact O-N 2.93Å; H234-E267 IonicContact CD2-OE1 3.33Å; H234-E267 PolarHBondContact CD2-OE1 2.99Å; H234-E267 IonicContact NE2-OE1 3.63Å
235	S	98.8	Very high	98.4	Very high	8 Å²	8	36.6 Å²	36.6	6%	0.056	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	148.8	166	61	0	0	0	0	110.9	I241 A243 G244 K245 V263	S235-I241 VanDerWaalsContact O-O 3.09Å; S235-A243 WeakPolarHBondContact O-CB 3.47Å; S235-A243 PolarHBondContact O-N 3.29Å; S235-A243 WeakPolarHBondContact OG-CB 3.44Å; S235-G244 PolarHBondContact OG-N 3.03Å; S235-K245 PolarHBondContact N-O 3.44Å; S235-K245 PolarHBondContact OG-N 2.74Å; S235-V263 CarbonylContact C-O 3.52Å; S235-V263 VanDerWaalsContact CA-O 3.24Å; S235-V263 WeakPolarHBondContact CA-O 3.46Å
236	I	98.9	Very high	98.4	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.062	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.6	178.9	-62.9	173.2	0	0	0	108.9	I163 D165 V263 A265 T364	I163-I236 HydrophobicContact CB-CG2 3.94Å; I163-I236 HydrophobicContact CD1-CG2 4.43Å; D165-I236 HydrophobicContact CB-CD1 3.9Å; I236-V263 HydrophobicContact CB-CB 4.29Å; I236-V263 HydrophobicContact CB-CG1 3.96Å; I236-V263 HydrophobicContact CD1-CG1 4.34Å; I236-V263 HydrophobicContact CG2-CG1 4.44Å; I236-V263 PolarHBondContact N-O 3.43Å; I236-A265 HydrophobicContact CD1-CB 4.01Å; I236-A265 HydrophobicContact CG1-CB 4.38Å; I236-T364 HydrophobicContact CD1-CG2 4.18Å
237	G	98.5	Very high	98.4	Very high	13 Å²	13	36.6 Å²	36.6	13%	0.134	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-125.6	172.5	177.5	0	0	0	0	0	111.8	Y239 R240	G237-Y239 PolarHBondContact O-N 3.45Å; G237-Y239 VanDerWaalsContact O-N 3.14Å; G237-R240 PolarHBondContact N-O 3.29Å; G237-R240 PolarHBondContact O-N 2.85Å
238	P	98.3	Very high	98.4	Very high	54 Å²	54	36.7 Å²	36.7	35%	0.351	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	119.2	177.7	26.5	-33.2	0	0	0	110.2	G161 R240	G161-P238 WeakPolarHBondContact O-CA 3.3Å; P238-R240 PolarHBondContact O-N 3.44Å; P238-R240 VanDerWaalsContact O-N 3.14Å
239	Y	98.6	Very high	98.3	Very high	64 Å²	64	36.7 Å²	36.7	25%	0.251	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	22.3	-175.5	-55.4	-84.7	0	0	0	114.3	L116 N160 G161 G237 T315 L316	L116-Y239 HydrophobicContact CB-CE1 4.27Å; L116-Y239 VanDerWaalsContact O-CE1 3.23Å; L116-Y239 WeakPolarHBondContact O-CE1 3.43Å; L116-Y239 PolarHBondContact O-OH 2.83Å; L116-Y239 VanDerWaalsContact O-OH 3.08Å; N160-Y239 VanDerWaalsContact C-CZ 3.41Å; N160-Y239 WeakPolarHBondContact CA-OH 3.5Å; G161-Y239 VanDerWaalsContact CA-CE1 3.44Å; G161-Y239 VanDerWaalsContact N-CZ 3.27Å; G161-Y239 PolarHBondContact N-OH 3.11Å; G161-Y239 PolarHBondContact O-N 3.24Å; G237-Y239 PolarHBondContact O-N 3.45Å; G237-Y239 VanDerWaalsContact O-N 3.14Å; Y239-T315 WeakPolarHBondContact CB-OG1 3.49Å; Y239-T315 CarbonylContact O-C 3.52Å; Y239-T315 WeakPolarHBondContact O-CB 3.37Å; Y239-T315 PolarHBondContact O-OG1 3.14Å; Y239-L316 HydrophobicContact CD1-CD1 4.14Å; Y239-L316 HydrophobicContact CD1-CD2 4.17Å; Y239-L316 HydrophobicContact CD1-CG 4.09Å
240	R	98.6	Very high	98.3	Very high	60 Å²	60	32 Å²	32	23%	0.226	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-137	100	-175.2	-170	178.7	178	-160	-3.9	109.6	G237 P238 H242 A243 Y290	G237-R240 PolarHBondContact N-O 3.29Å; G237-R240 PolarHBondContact O-N 2.85Å; P238-R240 PolarHBondContact O-N 3.44Å; P238-R240 VanDerWaalsContact O-N 3.14Å; R240-H242 VanDerWaalsContact C-N 3.34Å; R240-H242 WeakPolarHBondContact CG-O 3.38Å; R240-H242 PolarHBondContact NE-O 2.76Å; R240-H242 PolarHBondContact O-N 2.75Å; R240-A243 PolarHBondContact NH1-O 3.11Å; R240-Y290 HydrophobicContact CB-CD2 3.71Å; R240-Y290 HydrophobicContact CB-CE2 3.66Å; R240-Y290 HydrophobicContact CB-CG 4.48Å; R240-Y290 HydrophobicContact CG-CD2 3.76Å; R240-Y290 HydrophobicContact CG-CE2 4.13Å; R240-Y290 HydrophobicContact CG-CG 4.07Å
241	I	98.7	Very high	98.3	Very high	15 Å²	15	35.5 Å²	35.5	8%	0.077	20%	0.2	C	C	.	.	S	Bend	trans	-60.7	-44	-177.7	-166.4	57.6	0	0	0	111.7	F122 I163 D165 H234 S235 I287	F122-I241 HydrophobicContact CD1-CD1 3.79Å; F122-I241 HydrophobicContact CD1-CG1 4.1Å; F122-I241 HydrophobicContact CE1-CD1 3.69Å; F122-I241 HydrophobicContact CE1-CG1 4.35Å; I163-I241 HydrophobicContact CB-CD1 4.46Å; I163-I241 HydrophobicContact CD1-CB 4.4Å; I163-I241 HydrophobicContact CD1-CD1 4.27Å; I163-I241 HydrophobicContact CG2-CD1 3.62Å; D165-I241 HydrophobicContact CB-CD1 4.09Å; D165-I241 WeakPolarHBondContact OD2-CD1 3.34Å; H234-I241 PolarHBondContact CE1-O 2.73Å; H234-I241 PolarHBondContact ND1-O 3.34Å; S235-I241 VanDerWaalsContact O-O 3.09Å; I241-I287 HydrophobicContact CG2-CD1 3.83Å
242	H	97.7	Very high	97.8	Very high	71 Å²	71	36.8 Å²	36.8	33%	0.329	22%	0.217	S	C	.	.			trans	-106.7	97.2	174.9	-55.6	126	0	0	0	111.2	H234 R240	H234-H242 AromaticContact CD2-CD2 3.51Å; H234-H242 AromaticContact CD2-NE2 3.75Å; H234-H242 AromaticContact CE1-CD2 3.75Å; H234-H242 AromaticContact CG-CD2 3.42Å; H234-H242 VanDerWaalsContact CG-CD2 3.42Å; H234-H242 AromaticContact ND1-CD2 3.58Å; H234-H242 AromaticContact NE2-CD2 3.69Å; H234-H242 AromaticContact NE2-NE2 3.72Å; R240-H242 VanDerWaalsContact C-N 3.34Å; R240-H242 WeakPolarHBondContact CG-O 3.38Å; R240-H242 PolarHBondContact NE-O 2.76Å; R240-H242 PolarHBondContact O-N 2.75Å
243	A	97.6	Very high	97.1	Very high	29 Å²	29	37.4 Å²	37.4	24%	0.24	24%	0.236	C	C	.	.			trans	-86.6	-2.4	-175.2	0	0	0	0	0	115.4	S235 R240	S235-A243 WeakPolarHBondContact O-CB 3.47Å; S235-A243 PolarHBondContact O-N 3.29Å; S235-A243 WeakPolarHBondContact OG-CB 3.44Å; R240-A243 PolarHBondContact NH1-O 3.11Å
244	G	96.4	Very high	96.7	Very high	60 Å²	60	44 Å²	44	62%	0.619	27%	0.266	S	S	*	.	S	Bend	trans	119.1	-14.8	163.6	0	0	0	0	0	115.9	S235	S235-G244 PolarHBondContact OG-N 3.03Å
245	K	98.2	Very high	96.6	Very high	38 Å²	38	46.7 Å²	46.7	17%	0.165	29%	0.289	C	S	.	.			trans	-91.8	135.9	167.5	-61.6	-179.9	-178.3	-179.3	0	108.7	L200 H234 S235 V256 K257 E259 D262 F264	L200-K245 HydrophobicContact CD1-CB 4.08Å; H234-K245 CarbonylContact C-O 3.55Å; H234-K245 VanDerWaalsContact CA-O 3.27Å; H234-K245 WeakPolarHBondContact CA-O 3.37Å; S235-K245 PolarHBondContact N-O 3.44Å; S235-K245 PolarHBondContact OG-N 2.74Å; K245-V256 HydrophobicContact CD-CG1 4.29Å; K245-V256 HydrophobicContact CG-CG1 4.44Å; K245-K257 PolarHBondContact NZ-O 2.86Å; K245-K257 VanDerWaalsContact NZ-O 3.14Å; K245-E259 IonicContact NZ-OE1 3.38Å; K245-E259 PolarHBondContact NZ-OE1 2.91Å; K245-D262 IonicContact NZ-OD1 3.61Å; K245-D262 IonicContact NZ-OD2 3.89Å; K245-D262 PolarHBondContact NZ-OD2 3.39Å; K245-F264 HydrophobicContact CB-CE1 3.95Å; K245-F264 HydrophobicContact CB-CZ 4.24Å; K245-F264 HydrophobicContact CD-CE1 4.43Å; K245-F264 HydrophobicContact CD-CZ 3.86Å
246	T	98.1	Very high	96.5	Very high	80 Å²	80	48.7 Å²	48.7	49%	0.491	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.2	177.1	54.9	0	0	0	0	110.4	L200 G233 P248	L200-T246 WeakPolarHBondContact CD1-O 3.36Å; G233-T246 CarbonylContact O-C 3.53Å; G233-T246 WeakPolarHBondContact O-CA 3.29Å; T246-P248 WeakPolarHBondContact O-CD 3.41Å
247	V	98.4	Very high	96.5	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	106.4	175.7	-172.5	0	0	0	0	108	L200 I203 N232 G233 M258 F264 I266	L200-V247 HydrophobicContact CD2-CG2 4.04Å; I203-V247 HydrophobicContact CB-CG1 4.34Å; I203-V247 HydrophobicContact CG2-CG1 3.75Å; N232-V247 CarbonylContact C-O 3.59Å; N232-V247 WeakPolarHBondContact CA-O 3.46Å; N232-V247 WeakPolarHBondContact CB-O 3.36Å; G233-V247 PolarHBondContact N-O 3.23Å; G233-V247 PolarHBondContact O-N 3.47Å; V247-M258 HydrophobicContact CG2-CE 4.04Å; V247-F264 HydrophobicContact CG2-CD1 3.46Å; V247-F264 VanDerWaalsContact CG2-CD1 3.46Å; V247-F264 HydrophobicContact CG2-CE1 3.83Å; V247-F264 HydrophobicContact CG2-CG 4.4Å; V247-I266 HydrophobicContact CG1-CD1 4.2Å; V247-I266 HydrophobicContact CG2-CD1 4.05Å
248	P	98.4	Very high	96.5	Very high	11 Å²	11	52.2 Å²	52.2	7%	0.071	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	152.9	178.2	29.4	-33.7	0	0	0	111.2	L200 G204 N232 T246	L200-P248 VanDerWaalsContact O-CD 3.29Å; L200-P248 WeakPolarHBondContact O-CD 3.48Å; L200-P248 WeakPolarHBondContact O-CG 3.45Å; G204-P248 WeakPolarHBondContact CA-O 3.42Å; G204-P248 PolarHBondContact N-O 3.41Å; N232-P248 WeakPolarHBondContact ND2-CA 3.37Å; T246-P248 WeakPolarHBondContact O-CD 3.41Å
249	I	98.7	Very high	96.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-114.6	11.6	172.4	70.2	173.6	0	0	0	112	G204 I207 P227 I228 L231 E267 T268 F269	G204-I249 CarbonylContact O-C 3.47Å; I207-I249 HydrophobicContact CD1-CG2 4.38Å; I207-I249 HydrophobicContact CG2-CB 3.79Å; I207-I249 HydrophobicContact CG2-CG2 4.33Å; P227-I249 HydrophobicContact CB-CD1 4.12Å; P227-I249 HydrophobicContact CB-CG1 4.03Å; P227-I249 VanDerWaalsContact CB-O 3.32Å; P227-I249 WeakPolarHBondContact CB-O 3.49Å; I228-I249 WeakPolarHBondContact O-CD1 3.26Å; L231-I249 WeakPolarHBondContact O-CG1 3.49Å; I249-E267 WeakPolarHBondContact CG2-O 3.27Å; I249-T268 HydrophobicContact CG2-CG2 4.04Å; I249-F269 HydrophobicContact CD1-CB 4.37Å; I249-F269 HydrophobicContact CD1-CD2 4.48Å
250	V	98.5	Very high	96.4	Very high	29 Å²	29	54.1 Å²	54.1	18%	0.176	32%	0.319	C	S	.	.	S	Bend	trans	-133.9	154.6	172.9	-67	0	0	0	0	109.3	G204 P227 R229	G204-V250 VanDerWaalsContact C-C 3.47Å; G204-V250 CarbonylContact C-O 3.58Å; G204-V250 WeakPolarHBondContact CA-O 3.34Å; G204-V250 CarbonylContact O-C 3.49Å; G204-V250 VanDerWaalsContact O-C 3.29Å; G204-V250 WeakPolarHBondContact O-CA 3.49Å; G204-V250 PolarHBondContact O-N 2.92Å; P227-V250 HydrophobicContact CB-CG1 3.68Å; P227-V250 HydrophobicContact CG-CG1 4.08Å; R229-V250 HydrophobicContact CB-CG1 3.77Å; R229-V250 HydrophobicContact CB-CG2 4.07Å
251	K	97.3	Very high	96.4	Very high	127 Å²	127	53.1 Å²	53.1	55%	0.552	32%	0.318	S	S	*	.	S	Bend	trans	-59.3	152.4	171.2	75.2	-164.4	146.4	-160.5	0	110.9	E205 E208	E205-K251 HydrophobicContact CB-CB 3.93Å; E205-K251 HydrophobicContact CG-CB 3.98Å; E208-K251 WeakPolarHBondContact OE1-CE 3.32Å; E208-K251 IonicContact OE1-NZ 2.98Å; E208-K251 WeakPolarHBondContact OE2-CB 3.26Å; E208-K251 WeakPolarHBondContact OE2-CE 3.45Å; E208-K251 WeakPolarHBondContact OE2-CG 3.14Å; E208-K251 PolarHBondContact OE2-N 2.7Å
252	G	88	Confident	96.4	Very high	42 Å²	42	54 Å²	54	43%	0.433	32%	0.323	S	S	.	.			trans	86.8	-176	-168.3	0	0	0	0	0	111.4
253	G	84.5	Confident	96.4	Very high	65 Å²	65	51 Å²	51	67%	0.67	31%	0.31	S	S	*	.	S	Bend	trans	94.6	-174.2	-168	0	0	0	0	0	112.4
254	E	89.6	Confident	96.5	Very high	139 Å²	139	49.7 Å²	49.7	65%	0.65	30%	0.298	S	S	*	.			trans	-82.3	142.7	-169.5	-56.4	-172.9	163.1	0	0	112.1	C201 V256	C201-E254 PolarHBondContact N-O 2.66Å; E254-V256 HydrophobicContact CB-CB 4.45Å; E254-V256 HydrophobicContact CB-CG2 3.88Å; E254-V256 PolarHBondContact O-N 3.44Å; E254-V256 WeakPolarHBondContact OE2-CG2 3.44Å
255	A	96	Very high	96.6	Very high	62 Å²	62	46.8 Å²	46.8	51%	0.512	27%	0.269	S	S	.	.			trans	-78.2	23.6	173.5	0	0	0	0	0	113.1
256	V	97.5	Very high	96.6	Very high	50 Å²	50	45 Å²	45	30%	0.303	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-60.3	142	173.7	172.5	0	0	0	0	108.8	R199 L200 K245 E254	R199-V256 CarbonylContact C-O 3.44Å; R199-V256 WeakPolarHBondContact CA-O 3.42Å; L200-V256 HydrophobicContact CD1-CB 3.99Å; L200-V256 HydrophobicContact CD1-CG1 3.94Å; L200-V256 WeakPolarHBondContact CG-O 3.46Å; L200-V256 PolarHBondContact N-O 3.39Å; K245-V256 HydrophobicContact CD-CG1 4.29Å; K245-V256 HydrophobicContact CG-CG1 4.44Å; E254-V256 HydrophobicContact CB-CB 4.45Å; E254-V256 HydrophobicContact CB-CG2 3.88Å; E254-V256 PolarHBondContact O-N 3.44Å; E254-V256 WeakPolarHBondContact OE2-CG2 3.44Å
257	K	97.9	Very high	96.7	Very high	98 Å²	98	42.1 Å²	42.1	43%	0.426	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-98.8	147.4	-179.8	-69.4	178.5	174.1	-176.7	0	112.1	D197 V198 R199 K245	D197-K257 IonicContact OD1-NZ 3.57Å; V198-K257 CarbonylContact O-C 3.57Å; V198-K257 VanDerWaalsContact O-CA 3.27Å; V198-K257 WeakPolarHBondContact O-CA 3.34Å; R199-K257 HydrophobicContact CG-CG 4.17Å; K245-K257 PolarHBondContact NZ-O 2.86Å; K245-K257 VanDerWaalsContact NZ-O 3.14Å
258	M	98.5	Very high	96.7	Very high	1 Å²	1	42 Å²	42	1%	0.005	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-70	137.6	161.9	-67.5	-173.9	161.3	0	0	109.9	A194 G195 D197 V198 L200 I203 V247 F264 I266 L367	A194-M258 HydrophobicContact CB-CE 3.95Å; A194-M258 HydrophobicContact CB-SD 3.82Å; G195-M258 VanDerWaalsContact O-CB 3.29Å; G195-M258 WeakPolarHBondContact O-CB 3.24Å; D197-M258 PolarHBondContact N-O 2.85Å; V198-M258 PolarHBondContact O-N 2.8Å; L200-M258 HydrophobicContact CD2-CE 3.68Å; L200-M258 HydrophobicContact CD2-CG 3.7Å; L200-M258 HydrophobicContact CD2-SD 4.48Å; I203-M258 HydrophobicContact CD1-CE 3.32Å; I203-M258 HydrophobicContact CD1-SD 3.69Å; V247-M258 HydrophobicContact CG2-CE 4.04Å; M258-F264 HydrophobicContact CB-CE2 4.01Å; M258-F264 HydrophobicContact CB-CZ 4.42Å; M258-F264 HydrophobicContact CE-CD1 4.04Å; M258-F264 HydrophobicContact CE-CD2 3.9Å; M258-F264 HydrophobicContact CE-CE1 4.16Å; M258-F264 HydrophobicContact CE-CE2 4Å; M258-F264 HydrophobicContact CE-CG 3.92Å; M258-F264 HydrophobicContact CE-CZ 4.14Å; M258-F264 HydrophobicContact CG-CD2 4.32Å; M258-F264 HydrophobicContact CG-CE2 3.58Å; M258-F264 HydrophobicContact CG-CZ 3.75Å; M258-F264 HydrophobicContact SD-CD2 4.25Å; M258-F264 HydrophobicContact SD-CE2 4.11Å; M258-I266 HydrophobicContact CE-CD1 4Å; M258-L367 HydrophobicContact CB-CD1 3.65Å; M258-L367 HydrophobicContact CG-CD1 4.25Å; M258-L367 HydrophobicContact SD-CD1 4Å
259	E	98.2	Very high	96.7	Very high	111 Å²	111	41.7 Å²	41.7	52%	0.519	24%	0.239	S	C	.	.			trans	-113.8	161.3	-175.5	-67.7	170.2	-120.9	0	0	111.7	K245 D262	K245-E259 IonicContact NZ-OE1 3.38Å; K245-E259 PolarHBondContact NZ-OE1 2.91Å; E259-D262 PolarHBondContact N-OD2 3.08Å; E259-D262 WeakPolarHBondContact O-CB 3.18Å; E259-D262 PolarHBondContact O-N 3.04Å
260	E	97.8	Very high	96.7	Very high	48 Å²	48	41.7 Å²	41.7	22%	0.224	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	136.9	173.8	-177.3	173.2	74.4	0	0	111.2	K58 L61 I196 D262 P369	K58-E260 VanDerWaalsContact CD-OE2 3.25Å; K58-E260 WeakPolarHBondContact CD-OE2 3.37Å; K58-E260 WeakPolarHBondContact CE-OE2 3.12Å; K58-E260 IonicContact NZ-OE1 3.6Å; K58-E260 PolarHBondContact NZ-OE1 2.76Å; K58-E260 IonicContact NZ-OE2 3.25Å; K58-E260 PolarHBondContact NZ-OE2 2.84Å; L61-E260 WeakPolarHBondContact CD2-OE1 3.11Å; I196-E260 HydrophobicContact CD1-CB 3.78Å; I196-E260 HydrophobicContact CD1-CG 3.95Å; I196-E260 HydrophobicContact CG1-CB 4.33Å; E260-D262 PolarHBondContact O-N 3.34Å; E260-P369 HydrophobicContact CG-CB 4.31Å; E260-P369 HydrophobicContact CG-CG 4.06Å; E260-P369 VanDerWaalsContact OE2-CA 3.3Å; E260-P369 WeakPolarHBondContact OE2-CA 3.19Å; E260-P369 WeakPolarHBondContact OE2-CB 3.41Å
261	N	97.8	Very high	96.8	Very high	38 Å²	38	40.3 Å²	40.3	20%	0.203	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	3.2	-173.9	-45.8	-58.2	0	0	0	115.3	Y65 W69 L367 P369	Y65-N261 WeakPolarHBondContact CE2-ND2 3.4Å; W69-N261 HydrophobicContact CH2-CB 4.35Å; N261-L367 WeakPolarHBondContact CA-O 3.41Å; N261-L367 PolarHBondContact N-O 3.48Å; N261-P369 VanDerWaalsContact OD1-CD 3.3Å; N261-P369 WeakPolarHBondContact OD1-CD 3.42Å; N261-P369 WeakPolarHBondContact OD1-CG 3.38Å
262	D	98.5	Very high	96.8	Very high	34 Å²	34	34.7 Å²	34.7	18%	0.182	21%	0.207	C	C	.	.			trans	-61.1	148	166.6	-79.3	-19.6	0	0	0	110	K245 E259 E260 F264 L367	K245-D262 IonicContact NZ-OD1 3.61Å; K245-D262 IonicContact NZ-OD2 3.89Å; K245-D262 PolarHBondContact NZ-OD2 3.39Å; E259-D262 PolarHBondContact N-OD2 3.08Å; E259-D262 WeakPolarHBondContact O-CB 3.18Å; E259-D262 PolarHBondContact O-N 3.04Å; E260-D262 PolarHBondContact O-N 3.34Å; D262-F264 HydrophobicContact CB-CD2 3.91Å; D262-F264 HydrophobicContact CB-CE2 3.4Å; D262-F264 VanDerWaalsContact CB-CE2 3.4Å; D262-F264 HydrophobicContact CB-CZ 4.3Å; D262-L367 HydrophobicContact CB-CD1 4.19Å; D262-L367 WeakPolarHBondContact O-CB 3.42Å; D262-L367 PolarHBondContact O-N 3.21Å
263	V	98.9	Very high	97.3	Very high	9 Å²	9	33.3 Å²	33.3	6%	0.055	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.8	170.4	179.4	0	0	0	0	107.2	W69 F72 S235 I236 T364 I365 L366	W69-V263 HydrophobicContact CZ3-CG2 4.42Å; F72-V263 HydrophobicContact CE1-CG1 3.9Å; F72-V263 HydrophobicContact CE1-CG2 4.45Å; F72-V263 HydrophobicContact CE2-CG2 3.95Å; F72-V263 HydrophobicContact CZ-CB 4.28Å; F72-V263 HydrophobicContact CZ-CG1 3.96Å; F72-V263 HydrophobicContact CZ-CG2 3.71Å; S235-V263 CarbonylContact C-O 3.52Å; S235-V263 VanDerWaalsContact CA-O 3.24Å; S235-V263 WeakPolarHBondContact CA-O 3.46Å; I236-V263 HydrophobicContact CB-CB 4.29Å; I236-V263 HydrophobicContact CB-CG1 3.96Å; I236-V263 HydrophobicContact CD1-CG1 4.34Å; I236-V263 HydrophobicContact CG2-CG1 4.44Å; I236-V263 PolarHBondContact N-O 3.43Å; V263-T364 HydrophobicContact CG1-CG2 3.61Å; V263-I365 WeakPolarHBondContact CA-O 3.44Å; V263-L366 HydrophobicContact CB-CD2 4.44Å; V263-L366 HydrophobicContact CG1-CD2 3.9Å; V263-L366 HydrophobicContact CG2-CD2 3.77Å
264	F	98.9	Very high	98	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.5	-178.9	-76.9	-87.5	0	0	0	111.6	L200 H234 K245 V247 M258 D262 I266 T364 I365 L367	L200-F264 HydrophobicContact CD2-CE1 4.16Å; L200-F264 HydrophobicContact CD2-CZ 4.3Å; H234-F264 CarbonylContact O-C 3.54Å; H234-F264 VanDerWaalsContact O-CA 3.29Å; H234-F264 WeakPolarHBondContact O-CA 3.25Å; H234-F264 WeakPolarHBondContact O-CD1 3.39Å; K245-F264 HydrophobicContact CB-CE1 3.95Å; K245-F264 HydrophobicContact CB-CZ 4.24Å; K245-F264 HydrophobicContact CD-CE1 4.43Å; K245-F264 HydrophobicContact CD-CZ 3.86Å; V247-F264 HydrophobicContact CG2-CD1 3.46Å; V247-F264 VanDerWaalsContact CG2-CD1 3.46Å; V247-F264 HydrophobicContact CG2-CE1 3.83Å; V247-F264 HydrophobicContact CG2-CG 4.4Å; M258-F264 HydrophobicContact CB-CE2 4.01Å; M258-F264 HydrophobicContact CB-CZ 4.42Å; M258-F264 HydrophobicContact CE-CD1 4.04Å; M258-F264 HydrophobicContact CE-CD2 3.9Å; M258-F264 HydrophobicContact CE-CE1 4.16Å; M258-F264 HydrophobicContact CE-CE2 4Å; M258-F264 HydrophobicContact CE-CG 3.92Å; M258-F264 HydrophobicContact CE-CZ 4.14Å; M258-F264 HydrophobicContact CG-CD2 4.32Å; M258-F264 HydrophobicContact CG-CE2 3.58Å; M258-F264 HydrophobicContact CG-CZ 3.75Å; M258-F264 HydrophobicContact SD-CD2 4.25Å; M258-F264 HydrophobicContact SD-CE2 4.11Å; D262-F264 HydrophobicContact CB-CD2 3.91Å; D262-F264 HydrophobicContact CB-CE2 3.4Å; D262-F264 VanDerWaalsContact CB-CE2 3.4Å; D262-F264 HydrophobicContact CB-CZ 4.3Å; F264-I266 HydrophobicContact CB-CD1 3.88Å; F264-I266 HydrophobicContact CB-CG1 4.45Å; F264-T364 CarbonylContact O-C 3.53Å; F264-T364 VanDerWaalsContact O-CA 3.29Å; F264-T364 WeakPolarHBondContact O-CA 3.34Å; F264-I365 HydrophobicContact CB-CD1 4.34Å; F264-I365 HydrophobicContact CB-CG1 3.9Å; F264-I365 PolarHBondContact N-O 3.05Å; F264-I365 PolarHBondContact O-N 2.55Å; F264-L367 HydrophobicContact CD2-CD1 4.05Å; F264-L367 HydrophobicContact CD2-CG 4.46Å; F264-L367 HydrophobicContact CE2-CD1 4.04Å
265	A	98.9	Very high	98.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	115.6	152.4	0	0	0	0	0	108.5	D165 G233 H234 I236 E362	D165-A265 HydrophobicContact CB-CB 4.18Å; G233-A265 CarbonylContact C-O 3.52Å; G233-A265 VanDerWaalsContact CA-O 3.3Å; G233-A265 WeakPolarHBondContact CA-O 3.47Å; H234-A265 WeakPolarHBondContact CE1-CB 3.21Å; H234-A265 PolarHBondContact N-O 3.14Å; H234-A265 WeakPolarHBondContact NE2-CB 3.06Å; H234-A265 PolarHBondContact O-N 2.93Å; I236-A265 HydrophobicContact CD1-CB 4.01Å; I236-A265 HydrophobicContact CG1-CB 4.38Å; A265-E362 WeakPolarHBondContact CB-OE1 3.4Å
266	I	98.9	Very high	98.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	98.6	169.2	-51.7	-59.9	0	0	0	107.4	T187 I191 A194 V247 M258 F264 E362 H363 I365	T187-I266 WeakPolarHBondContact CG2-O 3.45Å; I191-I266 HydrophobicContact CG1-CB 3.86Å; I191-I266 HydrophobicContact CG1-CG1 4.26Å; I191-I266 HydrophobicContact CG1-CG2 3.84Å; A194-I266 HydrophobicContact CB-CD1 4.38Å; V247-I266 HydrophobicContact CG1-CD1 4.2Å; V247-I266 HydrophobicContact CG2-CD1 4.05Å; M258-I266 HydrophobicContact CE-CD1 4Å; F264-I266 HydrophobicContact CB-CD1 3.88Å; F264-I266 HydrophobicContact CB-CG1 4.45Å; I266-E362 VanDerWaalsContact O-CA 3.3Å; I266-E362 WeakPolarHBondContact O-CA 3.3Å; I266-H363 PolarHBondContact N-O 3.12Å; I266-H363 PolarHBondContact O-N 3.25Å; I266-H363 VanDerWaalsContact O-N 3.08Å; I266-I365 HydrophobicContact CD1-CD1 4.02Å; I266-I365 HydrophobicContact CG1-CD1 3.7Å; I266-I365 HydrophobicContact CG1-CG1 4.01Å; I266-I365 HydrophobicContact CG1-CG2 4.27Å
267	E	98.9	Very high	98.6	Very high	18 Å²	18	30.3 Å²	30.3	8%	0.084	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.3	175.9	47.4	176.2	166.8	0	0	111.2	G233 H234 I249 F269 Q360 W361 E362	G233-E267 VanDerWaalsContact CA-CG 3.5Å; H234-E267 IonicContact CD2-OE1 3.33Å; H234-E267 PolarHBondContact CD2-OE1 2.99Å; H234-E267 IonicContact NE2-OE1 3.63Å; I249-E267 WeakPolarHBondContact CG2-O 3.27Å; E267-F269 HydrophobicContact CB-CE2 4.29Å; E267-F269 HydrophobicContact CG-CE2 4.13Å; E267-F269 WeakPolarHBondContact OE2-CE2 3.05Å; E267-F269 WeakPolarHBondContact OE2-CZ 3.23Å; E267-Q360 PolarHBondContact OE2-NE2 3.26Å; E267-W361 WeakPolarHBondContact CA-O 3.41Å; E267-E362 HydrophobicContact CB-CB 3.68Å; E267-E362 HydrophobicContact CB-CG 3.65Å; E267-E362 HydrophobicContact CG-CG 4.48Å
268	T	98.9	Very high	98.7	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.7	170	75.2	0	0	0	0	110.4	V183 A186 T187 I207 I249 Q360 W361	V183-T268 VanDerWaalsContact CG1-O 3.25Å; V183-T268 WeakPolarHBondContact CG1-O 3.29Å; V183-T268 WeakPolarHBondContact CG1-OG1 3.29Å; V183-T268 PolarHBondContact O-OG1 2.82Å; A186-T268 HydrophobicContact CB-CG2 4.49Å; T187-T268 PolarHBondContact N-OG1 3.02Å; T187-T268 WeakPolarHBondContact OG1-CB 3.33Å; T187-T268 WeakPolarHBondContact OG1-CG2 3.5Å; T187-T268 PolarHBondContact OG1-N 3.18Å; T187-T268 PolarHBondContact OG1-OG1 3.02Å; I207-T268 HydrophobicContact CD1-CG2 3.9Å; I207-T268 HydrophobicContact CG1-CG2 4.25Å; I207-T268 HydrophobicContact CG2-CG2 3.62Å; I249-T268 HydrophobicContact CG2-CG2 4.04Å; T268-Q360 WeakPolarHBondContact O-CA 3.4Å; T268-W361 PolarHBondContact N-O 2.84Å; T268-W361 PolarHBondContact O-N 3.01Å
269	F	98.9	Very high	98.7	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.013	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	118.9	179.6	-61.2	-95.8	0	0	0	109.9	A132 A133 P227 I228 L231 I249 E267 A359 Q360	A132-F269 HydrophobicContact CB-CD1 4.07Å; A132-F269 HydrophobicContact CB-CE1 4.44Å; A133-F269 HydrophobicContact CB-CE1 4.2Å; A133-F269 HydrophobicContact CB-CZ 4.35Å; P227-F269 CarbonylContact C-O 3.53Å; P227-F269 WeakPolarHBondContact CA-O 3.47Å; I228-F269 HydrophobicContact CB-CB 3.95Å; I228-F269 HydrophobicContact CD1-CB 3.71Å; I228-F269 HydrophobicContact CG1-CB 3.79Å; I228-F269 PolarHBondContact N-O 3.13Å; L231-F269 HydrophobicContact CB-CD2 3.61Å; L231-F269 HydrophobicContact CB-CE2 3.89Å; L231-F269 HydrophobicContact CB-CG 4.32Å; L231-F269 HydrophobicContact CD1-CB 4.12Å; L231-F269 HydrophobicContact CD1-CD1 3.77Å; L231-F269 HydrophobicContact CD1-CD2 3.59Å; L231-F269 HydrophobicContact CD1-CE1 3.97Å; L231-F269 HydrophobicContact CD1-CE2 3.81Å; L231-F269 HydrophobicContact CD1-CG 3.55Å; L231-F269 HydrophobicContact CD1-CZ 3.99Å; L231-F269 HydrophobicContact CG-CD2 4.24Å; L231-F269 HydrophobicContact CG-CE2 4.4Å; I249-F269 HydrophobicContact CD1-CB 4.37Å; I249-F269 HydrophobicContact CD1-CD2 4.48Å; E267-F269 HydrophobicContact CB-CE2 4.29Å; E267-F269 HydrophobicContact CG-CE2 4.13Å; E267-F269 WeakPolarHBondContact OE2-CE2 3.05Å; E267-F269 WeakPolarHBondContact OE2-CZ 3.23Å; F269-A359 VanDerWaalsContact CA-O 3.28Å; F269-A359 WeakPolarHBondContact CA-O 3.17Å; F269-Q360 HydrophobicContact CD1-CB 3.73Å; F269-Q360 HydrophobicContact CD1-CG 3.81Å; F269-Q360 HydrophobicContact CE1-CB 3.7Å; F269-Q360 HydrophobicContact CE1-CG 3.37Å; F269-Q360 HydrophobicContact CE2-CG 4.42Å; F269-Q360 HydrophobicContact CZ-CG 3.72Å
270	G	98.9	Very high	98.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	144.2	171.5	0	0	0	0	0	111	V183 M211 K226 T358 A359	V183-G270 VanDerWaalsContact CG2-CA 3.45Å; V183-G270 VanDerWaalsContact CG2-N 3.32Å; M211-G270 VanDerWaalsContact SD-CA 3.6Å; K226-G270 CarbonylContact O-C 3.56Å; K226-G270 WeakPolarHBondContact O-CA 3.39Å; G270-T358 CarbonylContact O-C 3.5Å; G270-T358 WeakPolarHBondContact O-CA 3.3Å; G270-A359 PolarHBondContact N-O 3.45Å; G270-A359 PolarHBondContact O-N 3.21Å
271	S	98.9	Very high	98.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	144	-179.6	178.6	0	0	0	0	111.9	K226 G273 D352 Y357	K226-S271 PolarHBondContact N-O 2.89Å; K226-S271 PolarHBondContact O-N 3.28Å; S271-G273 VanDerWaalsContact C-N 3.31Å; S271-G273 PolarHBondContact OG-N 3.23Å; S271-D352 WeakPolarHBondContact CB-OD2 3.39Å; S271-D352 PolarHBondContact OG-OD2 2.8Å; S271-Y357 WeakPolarHBondContact CA-O 3.4Å
272	T	98.8	Very high	98.7	Very high	10 Å²	10	40.1 Å²	40.1	6%	0.061	19%	0.191	C	C	.	.	S	Bend	trans	-86.1	-3.7	166.5	62.8	0	0	0	0	113.4	L179 V216 I218 Y223 Y357	L179-T272 HydrophobicContact CD2-CG2 4.39Å; V216-T272 HydrophobicContact CG2-CG2 3.95Å; I218-T272 HydrophobicContact CD1-CG2 3.99Å; Y223-T272 WeakPolarHBondContact CD1-O 3.3Å; Y223-T272 HydrophobicContact CD2-CG2 4.42Å; Y223-T272 HydrophobicContact CG-CG2 4.16Å; T272-Y357 PolarHBondContact N-O 2.97Å; T272-Y357 PolarHBondContact OG1-N 3.38Å
273	G	98.5	Very high	98.7	Very high	13 Å²	13	39.5 Å²	39.5	13%	0.134	19%	0.189	C	C	.	.	S	Bend	trans	-87.8	-133.3	-176.8	0	0	0	0	0	113.8	K226 S271 G275 S356	K226-G273 PolarHBondContact NZ-O 2.72Å; S271-G273 VanDerWaalsContact C-N 3.31Å; S271-G273 PolarHBondContact OG-N 3.23Å; G273-G275 VanDerWaalsContact C-N 3.34Å; G273-S356 VanDerWaalsContact CA-CB 3.42Å
274	K	98.5	Very high	98.7	Very high	140 Å²	140	39.1 Å²	39.1	61%	0.609	19%	0.186	S	C	*	.			trans	-83.9	-10.2	177.5	-71.6	-178.9	-176.1	175.1	0	112.8	R229 Y276 D352 T353	R229-K274 PolarHBondContact NH1-O 3.26Å; K274-Y276 VanDerWaalsContact C-N 3.28Å; K274-D352 PolarHBondContact N-OD1 3.45Å; K274-D352 PolarHBondContact N-OD2 2.95Å; K274-T353 WeakPolarHBondContact CD-OG1 3.5Å; K274-T353 WeakPolarHBondContact CG-OG1 3.49Å
275	G	98.7	Very high	98.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	63.3	39.9	-172.5	0	0	0	0	0	110.7	P227 R229 G273 D352	P227-G275 WeakPolarHBondContact O-CA 3.08Å; R229-G275 WeakPolarHBondContact CG-O 3.46Å; R229-G275 PolarHBondContact N-O 3.4Å; R229-G275 PolarHBondContact NH1-O 2.93Å; G273-G275 VanDerWaalsContact C-N 3.34Å; G275-D352 WeakPolarHBondContact CA-OD2 3.47Å; G275-D352 PolarHBondContact N-OD2 3.39Å
276	Y	98.8	Very high	98.7	Very high	109 Å²	109	40.4 Å²	40.4	43%	0.427	19%	0.192	S	C	.	.			trans	-156.7	128.2	179.3	-168.5	-89.4	0	0	0	109.7	R229 N230 K274 D352	R229-Y276 HydrophobicContact CG-CD2 3.86Å; N230-Y276 HydrophobicContact CB-CD2 3.93Å; N230-Y276 HydrophobicContact CB-CE2 3.62Å; N230-Y276 VanDerWaalsContact CG-CE2 3.48Å; N230-Y276 VanDerWaalsContact OD1-CA 3.31Å; N230-Y276 WeakPolarHBondContact OD1-CA 3.29Å; N230-Y276 WeakPolarHBondContact OD1-CD2 3.19Å; K274-Y276 VanDerWaalsContact C-N 3.28Å; Y276-D352 PolarHBondContact N-OD2 2.81Å
277	V	98.9	Very high	98.7	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	20%	0.198	C	C	.	.			trans	-97.8	150.3	179.2	-69.5	0	0	0	0	112.1	A132 I228 N230 L231 L350 C351	A132-V277 HydrophobicContact CB-CG1 3.93Å; I228-V277 HydrophobicContact CD1-CG1 3.99Å; I228-V277 HydrophobicContact CG2-CB 4.23Å; I228-V277 HydrophobicContact CG2-CG1 3.61Å; I228-V277 HydrophobicContact CG2-CG2 3.95Å; N230-V277 WeakPolarHBondContact ND2-CG2 3.44Å; N230-V277 PolarHBondContact ND2-O 2.84Å; N230-V277 WeakPolarHBondContact OD1-CG2 3.45Å; N230-V277 PolarHBondContact OD1-N 2.68Å; L231-V277 HydrophobicContact CD1-CG1 4.29Å; L231-V277 HydrophobicContact CD1-CG2 4.24Å; L231-V277 HydrophobicContact CD2-CG2 3.83Å; L231-V277 HydrophobicContact CG-CG2 3.8Å; V277-L350 HydrophobicContact CB-CB 3.95Å; V277-L350 HydrophobicContact CG1-CB 4.33Å; V277-L350 HydrophobicContact CG2-CB 3.92Å; V277-L350 HydrophobicContact CG2-CD1 4.47Å; V277-C351 CarbonylContact C-O 3.48Å; V277-C351 WeakPolarHBondContact CA-O 3.27Å
278	H	98.7	Very high	98.6	Very high	91 Å²	91	42.8 Å²	42.8	42%	0.421	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	158.8	167.9	54.5	-72.6	0	0	0	108.7	D280 C351	H278-D280 PolarHBondContact O-N 2.98Å; H278-C351 PolarHBondContact CE1-O 2.79Å; H278-C351 PolarHBondContact N-O 3.19Å; H278-C351 PolarHBondContact ND1-O 3.08Å; H278-C351 PolarHBondContact O-N 3.01Å
279	E	98.6	Very high	98.5	Very high	138 Å²	138	46 Å²	46	65%	0.645	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	129.5	172.9	-54	-176.2	158.8	0	0	109.4	P348 P349 L350	E279-P348 HydrophobicContact CB-CB 4.25Å; E279-P348 HydrophobicContact CB-CG 3.67Å; E279-P348 HydrophobicContact CG-CG 3.53Å; E279-P349 WeakPolarHBondContact CA-O 3.22Å; E279-L350 HydrophobicContact CG-CD2 4.2Å
280	D	98.1	Very high	98.4	Very high	73 Å²	73	50.4 Å²	50.4	39%	0.39	24%	0.237	S	C	.	.			trans	-147	168.1	174.8	-165.5	12.4	0	0	0	110	H278 P349 C351	H278-D280 PolarHBondContact O-N 2.98Å; D280-P349 PolarHBondContact N-O 2.87Å; D280-P349 WeakPolarHBondContact O-CB 3.41Å; D280-P349 WeakPolarHBondContact O-CD 3.24Å; D280-C351 HydrophobicContact CB-CB 4Å
281	M	97.8	Very high	98.1	Very high	89 Å²	89	56.8 Å²	56.8	44%	0.438	27%	0.265	S	S	.	.	S	Bend	trans	63.5	-175.6	179	-50.6	-175	-66.2	0	0	114.1	C131 Y135 P349	C131-M281 HydrophobicContact CB-CE 3.9Å; C131-M281 VanDerWaalsContact SG-CE 3.5Å; Y135-M281 HydrophobicContact CD2-CE 4Å; Y135-M281 HydrophobicContact CG-CE 4.32Å; M281-P349 HydrophobicContact CB-CB 4.44Å; M281-P349 HydrophobicContact CB-CG 4.17Å; M281-P349 HydrophobicContact CE-CB 3.35Å; M281-P349 HydrophobicContact CE-CG 3.85Å
282	E	98.2	Very high	97.6	Very high	112 Å²	112	58 Å²	58	52%	0.523	28%	0.275	S	S	.	.			trans	-78	128.4	-180	-167.6	-177.4	-159.5	0	0	111.3	N138 S284 R320	N138-E282 VanDerWaalsContact ND2-CD 3.32Å; N138-E282 PolarHBondContact ND2-OE2 2.89Å; E282-S284 PolarHBondContact O-N 3.42Å; E282-R320 IonicContact OE1-CZ 2.8Å; E282-R320 IonicContact OE1-NH1 2.8Å; E282-R320 PolarHBondContact OE1-NH1 3.08Å; E282-R320 IonicContact OE1-NH2 2.65Å; E282-R320 PolarHBondContact OE1-NH2 3.35Å
283	C	98.7	Very high	96.8	Very high	21 Å²	21	66.2 Å²	66.2	14%	0.142	31%	0.313	C	S	.	.			trans	-63.8	130.4	175.4	-172.7	0	0	0	0	111.9	N138 H285 Y286 R320 P348	N138-C283 PolarHBondContact ND2-O 2.97Å; C283-H285 PolarHBondContact SG-O 3.45Å; C283-H285 VanDerWaalsContact SG-O 3.39Å; C283-Y286 PolarHBondContact O-OH 3.48Å; C283-R320 VanDerWaalsContact O-CZ 3.29Å; C283-R320 PolarHBondContact O-NE 3.11Å; C283-R320 PolarHBondContact O-NH2 3.08Å; C283-P348 HydrophobicContact CB-CB 4.1Å
284	S	98.8	Very high	96.2	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	34%	0.343	C	S	.	.			trans	-120.4	-30.7	178	52.5	0	0	0	0	113.3	T136 N138 E282 Y286 C319 R320	T136-S284 PolarHBondContact N-OG 3.41Å; T136-S284 WeakPolarHBondContact O-CB 3.4Å; T136-S284 PolarHBondContact O-OG 2.97Å; T136-S284 VanDerWaalsContact O-OG 3.04Å; N138-S284 VanDerWaalsContact OD1-CB 3.26Å; N138-S284 WeakPolarHBondContact OD1-CB 3.32Å; E282-S284 PolarHBondContact O-N 3.42Å; S284-Y286 VanDerWaalsContact O-CD2 3.29Å; S284-Y286 WeakPolarHBondContact O-CD2 3.26Å; S284-Y286 VanDerWaalsContact O-CE2 3.31Å; S284-Y286 WeakPolarHBondContact O-CE2 3.29Å; S284-C319 WeakPolarHBondContact O-CA 3.46Å; S284-C319 VanDerWaalsContact O-CB 3.28Å; S284-C319 WeakPolarHBondContact O-CB 3.41Å; S284-R320 PolarHBondContact O-N 3.19Å
285	H	98.9	Very high	95.6	Very high	14 Å²	14	68 Å²	68	7%	0.065	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	141.1	-176.8	-67.3	65.8	0	0	0	112.4	H134 T136 C283 Y347	H134-H285 VanDerWaalsContact C-CE1 3.48Å; H134-H285 PolarHBondContact O-CE1 2.69Å; H134-H285 VanDerWaalsContact O-CE1 3.23Å; H134-H285 PolarHBondContact O-ND1 2.87Å; T136-H285 VanDerWaalsContact CG2-CE1 3.41Å; T136-H285 WeakPolarHBondContact CG2-CE1 3.2Å; C283-H285 PolarHBondContact SG-O 3.45Å; C283-H285 VanDerWaalsContact SG-O 3.39Å; H285-Y347 WeakPolarHBondContact CB-O 3.5Å; H285-Y347 PolarHBondContact O-N 3.44Å
286	Y	98.9	Very high	95.1	Very high	14 Å²	14	72.8 Å²	72.8	6%	0.055	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	146.6	-179.9	-60.1	-87.6	0	0	0	109.9	C283 S284 F318 R320 L335 V344 G345 A346	C283-Y286 PolarHBondContact O-OH 3.48Å; S284-Y286 VanDerWaalsContact O-CD2 3.29Å; S284-Y286 WeakPolarHBondContact O-CD2 3.26Å; S284-Y286 VanDerWaalsContact O-CE2 3.31Å; S284-Y286 WeakPolarHBondContact O-CE2 3.29Å; Y286-F318 HydrophobicContact CD2-CE2 4.26Å; Y286-F318 HydrophobicContact CG-CE2 4.11Å; Y286-F318 HydrophobicContact CG-CZ 4.21Å; Y286-F318 PolarHBondContact N-O 3.24Å; Y286-F318 VanDerWaalsContact O-CD1 3.23Å; Y286-F318 WeakPolarHBondContact O-CD1 3.41Å; Y286-F318 PolarHBondContact O-N 3.27Å; Y286-R320 HydrophobicContact CE2-CG 3.82Å; Y286-R320 PolarHBondContact OH-NE 2.95Å; Y286-R320 PolarHBondContact OH-NH2 3.45Å; Y286-L335 HydrophobicContact CD1-CD1 4Å; Y286-L335 HydrophobicContact CD1-CD2 4.14Å; Y286-L335 HydrophobicContact CD1-CG 4.11Å; Y286-L335 HydrophobicContact CD2-CD2 3.95Å; Y286-L335 HydrophobicContact CE1-CD1 4.29Å; Y286-L335 HydrophobicContact CE1-CD2 3.77Å; Y286-L335 HydrophobicContact CE1-CG 3.86Å; Y286-L335 HydrophobicContact CE2-CD2 3.59Å; Y286-L335 HydrophobicContact CG-CD1 4.22Å; Y286-L335 HydrophobicContact CG-CD2 4.22Å; Y286-L335 VanDerWaalsContact CZ-CD2 3.48Å; Y286-V344 HydrophobicContact CD1-CG1 4.1Å; Y286-V344 HydrophobicContact CG-CG1 4.38Å; Y286-G345 VanDerWaalsContact CA-O 3.27Å; Y286-G345 WeakPolarHBondContact CA-O 3.49Å; Y286-A346 HydrophobicContact CD1-CB 4.16Å; Y286-A346 HydrophobicContact CE1-CB 3.99Å
287	I	98.7	Very high	94.8	Very high	25 Å²	25	68.3 Å²	68.3	13%	0.128	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	132.7	175.5	-49.3	-176.1	0	0	0	107.5	I241 D289 T315 V344 G345 Y347	I241-I287 HydrophobicContact CG2-CD1 3.83Å; I287-D289 PolarHBondContact O-N 2.84Å; I287-T315 WeakPolarHBondContact CG2-O 3.39Å; I287-V344 CarbonylContact O-C 3.55Å; I287-V344 VanDerWaalsContact O-CA 3.3Å; I287-V344 WeakPolarHBondContact O-CA 3.25Å; I287-G345 PolarHBondContact N-O 3.39Å; I287-G345 PolarHBondContact O-N 2.93Å; I287-Y347 HydrophobicContact CB-CD2 4.33Å; I287-Y347 HydrophobicContact CB-CE2 3.68Å; I287-Y347 HydrophobicContact CD1-CD2 4.09Å; I287-Y347 HydrophobicContact CD1-CE1 4.38Å; I287-Y347 HydrophobicContact CD1-CE2 3.68Å; I287-Y347 HydrophobicContact CG1-CD2 3.77Å; I287-Y347 HydrophobicContact CG1-CE2 3.49Å; I287-Y347 VanDerWaalsContact CG1-CE2 3.49Å
288	K	98.2	Very high	94.5	Very high	43 Å²	43	79.7 Å²	79.7	19%	0.187	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	133.8	170.4	-173.3	-171.9	170.6	-176.6	0	108.7	Y290 L306 I309 S310 G314 A343	K288-Y290 PolarHBondContact O-N 3.33Å; K288-L306 HydrophobicContact CD-CD1 4.39Å; K288-I309 HydrophobicContact CB-CG2 4.08Å; K288-S310 PolarHBondContact NZ-OG 3.28Å; K288-G314 VanDerWaalsContact CB-O 3.26Å; K288-G314 WeakPolarHBondContact CB-O 3.29Å; K288-G314 VanDerWaalsContact CD-O 3.31Å; K288-G314 WeakPolarHBondContact CD-O 3.34Å; K288-A343 WeakPolarHBondContact CG-O 3.48Å
289	D	96.7	Very high	94.3	Very high	67 Å²	67	79.5 Å²	79.5	36%	0.358	38%	0.38	S	S	.	.			trans	-58.9	131.6	177.2	179.8	-94.1	0	0	0	110.5	I287 F291 A292 A343	I287-D289 PolarHBondContact O-N 2.84Å; D289-F291 VanDerWaalsContact C-N 3.27Å; D289-F291 PolarHBondContact O-N 3.37Å; D289-F291 VanDerWaalsContact OD1-C 3.29Å; D289-F291 WeakPolarHBondContact OD1-CA 3.44Å; D289-F291 PolarHBondContact OD1-N 3.36Å; D289-A292 HydrophobicContact CB-CB 3.77Å; D289-A292 PolarHBondContact O-N 2.98Å; D289-A292 PolarHBondContact OD1-N 3.28Å; D289-A343 PolarHBondContact N-O 2.7Å
290	Y	95.8	Very high	94.2	Very high	97 Å²	97	76.7 Å²	76.7	38%	0.38	38%	0.38	S	S	.	.	S	Bend	trans	-69.9	-27.5	-172.4	-173.1	-89.9	0	0	0	112.1	R240 K288 T315	R240-Y290 HydrophobicContact CB-CD2 3.71Å; R240-Y290 HydrophobicContact CB-CE2 3.66Å; R240-Y290 HydrophobicContact CB-CG 4.48Å; R240-Y290 HydrophobicContact CG-CD2 3.76Å; R240-Y290 HydrophobicContact CG-CE2 4.13Å; R240-Y290 HydrophobicContact CG-CG 4.07Å; K288-Y290 PolarHBondContact O-N 3.33Å; Y290-T315 HydrophobicContact CD2-CG2 3.88Å; Y290-T315 HydrophobicContact CG-CG2 4.48Å
291	F	93.8	Very high	94.2	Very high	133 Å²	133	78.3 Å²	78.3	58%	0.583	38%	0.381	S	S	*	.	S	Bend	trans	-101.5	-5	-178.1	-57.2	-69	0	0	0	112.9	D289 E293	D289-F291 VanDerWaalsContact C-N 3.27Å; D289-F291 PolarHBondContact O-N 3.37Å; D289-F291 VanDerWaalsContact OD1-C 3.29Å; D289-F291 WeakPolarHBondContact OD1-CA 3.44Å; D289-F291 PolarHBondContact OD1-N 3.36Å; F291-E293 PolarHBondContact O-N 3.07Å
292	A	86.7	Confident	94.2	Very high	26 Å²	26	74 Å²	74	22%	0.215	36%	0.36	C	S	.	.			trans	-64.4	109.6	179	0	0	0	0	0	110.6	D289 V295	D289-A292 HydrophobicContact CB-CB 3.77Å; D289-A292 PolarHBondContact O-N 2.98Å; D289-A292 PolarHBondContact OD1-N 3.28Å; A292-V295 HydrophobicContact CB-CG2 4.32Å
293	E	82.3	Confident	94.1	Very high	182 Å²	182	74.3 Å²	74.3	85%	0.85	36%	0.359	S	S	*	.			trans	-78.5	-136.9	169.6	-59.6	-170.8	163.3	0	0	110.7	F291 V295	F291-E293 PolarHBondContact O-N 3.07Å; E293-V295 PolarHBondContact O-N 3.11Å; E293-V295 VanDerWaalsContact O-N 3.15Å
294	H	86.4	Confident	94.1	Very high	167 Å²	167	78.7 Å²	78.7	77%	0.773	38%	0.378	S	S	*	.			trans	-71.1	108.3	177.8	-175.6	75.4	0	0	0	111.3
295	V	87.1	Confident	94	Very high	25 Å²	25	78.7 Å²	78.7	15%	0.152	38%	0.378	C	S	.	.			trans	-90.4	119	173.2	-175.1	0	0	0	0	110.1	A292 E293 L297 K341 A343	A292-V295 HydrophobicContact CB-CG2 4.32Å; E293-V295 PolarHBondContact O-N 3.11Å; E293-V295 VanDerWaalsContact O-N 3.15Å; V295-L297 HydrophobicContact CG1-CD2 4.04Å; V295-L297 HydrophobicContact CG1-CG 4.27Å; V295-L297 PolarHBondContact O-N 3.28Å; V295-K341 HydrophobicContact CG1-CB 3.91Å; V295-A343 HydrophobicContact CB-CB 4.27Å; V295-A343 HydrophobicContact CG1-CB 4.17Å; V295-A343 HydrophobicContact CG2-CB 3.83Å
296	P	87.6	Confident	94	Very high	99 Å²	99	79.4 Å²	79.4	64%	0.643	38%	0.382	S	S	*	.			trans	-74.9	86.6	-177.5	29.9	-34.3	0	0	0	111.4
297	L	93.1	Very high	93.9	Very high	15 Å²	15	84.6 Å²	84.6	8%	0.079	41%	0.406	C	S	.	.			trans	-84.7	134.2	177	-62.2	173.1	0	0	0	111.2	V295 K303 L306 L338 K341	V295-L297 HydrophobicContact CG1-CD2 4.04Å; V295-L297 HydrophobicContact CG1-CG 4.27Å; V295-L297 PolarHBondContact O-N 3.28Å; L297-K303 HydrophobicContact CB-CG 3.79Å; L297-K303 HydrophobicContact CD1-CG 4.36Å; L297-K303 WeakPolarHBondContact O-CE 3.5Å; L297-K303 PolarHBondContact O-NZ 2.8Å; L297-L306 HydrophobicContact CD1-CB 4.1Å; L297-L306 HydrophobicContact CD1-CD2 3.68Å; L297-L338 HydrophobicContact CD1-CD2 3.46Å; L297-L338 VanDerWaalsContact CD1-CD2 3.46Å; L297-L338 HydrophobicContact CD2-CD2 3.83Å; L297-L338 HydrophobicContact CG-CD2 4.29Å; L297-K341 HydrophobicContact CD2-CB 4.4Å; L297-K341 HydrophobicContact CD2-CG 4.18Å
298	R	92.6	Very high	93.9	Very high	242 Å²	242	84.3 Å²	84.3	91%	0.913	41%	0.406	S	S	*	.			trans	-91.7	-39.6	175.3	-68.8	-177.8	-179.9	165.3	0.4	112.3
299	L	93.9	Very high	93.9	Very high	87 Å²	87	82.2 Å²	82.2	46%	0.455	40%	0.397	S	S	.	.			trans	-74.4	127.9	-176.3	-60.9	177.8	0	0	0	110.8	R301 S302 K303 D337	L299-R301 VanDerWaalsContact C-N 3.25Å; L299-R301 PolarHBondContact O-N 2.99Å; L299-S302 WeakPolarHBondContact CB-OG 3.49Å; L299-S302 PolarHBondContact O-N 2.86Å; L299-K303 PolarHBondContact O-N 3.29Å; L299-K303 VanDerWaalsContact O-N 3.15Å; L299-D337 HydrophobicContact CD1-CB 4.3Å
300	A	96.3	Very high	93.9	Very high	79 Å²	79	80.9 Å²	80.9	65%	0.653	39%	0.393	S	S	*	.	H	α-helix	trans	-59.4	-38.1	177.9	0	0	0	0	0	112.1	K303 Q304	A300-K303 PolarHBondContact O-N 3.23Å; A300-Q304 PolarHBondContact O-N 3.34Å
301	R	97.3	Very high	94	Very high	107 Å²	107	83 Å²	83	40%	0.404	40%	0.404	S	S	.	.	H	α-helix	trans	-66.9	-37.1	178.6	-158.7	174.5	-162.2	133.6	12.9	112.8	L299 Q304 L305 T329 K330 A334	L299-R301 VanDerWaalsContact C-N 3.25Å; L299-R301 PolarHBondContact O-N 2.99Å; R301-Q304 PolarHBondContact O-N 3.46Å; R301-L305 WeakPolarHBondContact O-CB 3.28Å; R301-L305 PolarHBondContact O-N 3.27Å; R301-T329 PolarHBondContact NH2-O 3.4Å; R301-K330 VanDerWaalsContact CZ-O 3.27Å; R301-K330 PolarHBondContact NE-O 3.27Å; R301-K330 VanDerWaalsContact NE-O 3.14Å; R301-A334 HydrophobicContact CB-CB 4.16Å; R301-A334 HydrophobicContact CG-CB 3.94Å
302	S	97.7	Very high	94.2	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-66	-40.8	174.1	-50.1	0	0	0	0	111.5	L299 L305 L306 D337	L299-S302 WeakPolarHBondContact CB-OG 3.49Å; L299-S302 PolarHBondContact O-N 2.86Å; S302-L305 PolarHBondContact O-N 2.93Å; S302-L306 WeakPolarHBondContact O-CB 3.26Å; S302-L306 PolarHBondContact O-N 3.08Å; S302-D337 WeakPolarHBondContact CB-OD2 3.33Å; S302-D337 PolarHBondContact OG-OD2 2.71Å
303	K	97.1	Very high	94.8	Very high	118 Å²	118	79 Å²	79	51%	0.513	38%	0.384	S	S	.	.	H	α-helix	trans	-60.9	-46.7	174.1	-67.4	179.5	-175.4	-178	0	111.9	L297 L299 A300 L306 H307	L297-K303 HydrophobicContact CB-CG 3.79Å; L297-K303 HydrophobicContact CD1-CG 4.36Å; L297-K303 WeakPolarHBondContact O-CE 3.5Å; L297-K303 PolarHBondContact O-NZ 2.8Å; L299-K303 PolarHBondContact O-N 3.29Å; L299-K303 VanDerWaalsContact O-N 3.15Å; A300-K303 PolarHBondContact O-N 3.23Å; K303-L306 PolarHBondContact O-N 3.19Å; K303-H307 PolarHBondContact O-N 2.94Å
304	Q	97.8	Very high	95.5	Very high	112 Å²	112	71 Å²	71	52%	0.523	35%	0.35	S	S	.	.	H	α-helix	trans	-59.8	-49.2	177.4	-180	-176.4	-11.3	0	0	110.8	A300 R301 L306 H307 T308	A300-Q304 PolarHBondContact O-N 3.34Å; R301-Q304 PolarHBondContact O-N 3.46Å; Q304-L306 PolarHBondContact O-N 2.65Å; Q304-H307 WeakPolarHBondContact O-CB 3.46Å; Q304-H307 PolarHBondContact O-N 2.89Å; Q304-H307 VanDerWaalsContact O-N 3.16Å; Q304-T308 PolarHBondContact O-N 3.02Å; Q304-T308 PolarHBondContact O-OG1 3.08Å
305	L	98.5	Very high	96.1	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-42.1	-179.3	-174.8	64	0	0	0	112.1	R301 S302 H307 T308 I309 L323 E328 A334 L335 L338	R301-L305 WeakPolarHBondContact O-CB 3.28Å; R301-L305 PolarHBondContact O-N 3.27Å; S302-L305 PolarHBondContact O-N 2.93Å; L305-H307 VanDerWaalsContact C-N 3.26Å; L305-H307 PolarHBondContact O-N 3.12Å; L305-T308 WeakPolarHBondContact O-CB 3.45Å; L305-T308 PolarHBondContact O-N 2.88Å; L305-T308 VanDerWaalsContact O-N 3.17Å; L305-I309 HydrophobicContact CG-CD1 3.97Å; L305-I309 VanDerWaalsContact O-CG1 3.32Å; L305-I309 WeakPolarHBondContact O-CG1 3.3Å; L305-I309 PolarHBondContact O-N 2.78Å; L305-L323 HydrophobicContact CD1-CD1 4.14Å; L305-L323 HydrophobicContact CD1-CD2 3.96Å; L305-E328 HydrophobicContact CD1-CG 4.22Å; L305-A334 HydrophobicContact CB-CB 4.36Å; L305-A334 HydrophobicContact CD2-CB 3.9Å; L305-L335 HydrophobicContact CD2-CB 3.81Å; L305-L335 HydrophobicContact CD2-CD1 4.25Å; L305-L338 HydrophobicContact CB-CD1 4.28Å; L305-L338 HydrophobicContact CD2-CD1 3.97Å; L305-L338 HydrophobicContact CG-CD1 4.05Å
306	L	97.7	Very high	96.6	Very high	28 Å²	28	63.4 Å²	63.4	15%	0.147	32%	0.316	C	S	.	.	H	α-helix	trans	-62.8	-34.8	175.7	-177.7	60.1	0	0	0	112.1	K288 L297 S302 K303 Q304 S310 L338	K288-L306 HydrophobicContact CD-CD1 4.39Å; L297-L306 HydrophobicContact CD1-CB 4.1Å; L297-L306 HydrophobicContact CD1-CD2 3.68Å; S302-L306 WeakPolarHBondContact O-CB 3.26Å; S302-L306 PolarHBondContact O-N 3.08Å; K303-L306 PolarHBondContact O-N 3.19Å; Q304-L306 PolarHBondContact O-N 2.65Å; L306-S310 WeakPolarHBondContact O-CB 3.5Å; L306-S310 PolarHBondContact O-N 2.83Å; L306-S310 PolarHBondContact O-OG 3.23Å; L306-L338 HydrophobicContact CB-CD1 4.14Å; L306-L338 HydrophobicContact CB-CD2 3.92Å; L306-L338 HydrophobicContact CD2-CD2 4.44Å
307	H	96.8	Very high	97.1	Very high	124 Å²	124	58.9 Å²	58.9	57%	0.574	29%	0.286	S	S	*	.	H	α-helix	trans	-64.9	-47.2	172.2	179.3	76.5	0	0	0	111.3	K303 Q304 L305 I309 S310 K311	K303-H307 PolarHBondContact O-N 2.94Å; Q304-H307 WeakPolarHBondContact O-CB 3.46Å; Q304-H307 PolarHBondContact O-N 2.89Å; Q304-H307 VanDerWaalsContact O-N 3.16Å; L305-H307 VanDerWaalsContact C-N 3.26Å; L305-H307 PolarHBondContact O-N 3.12Å; H307-I309 VanDerWaalsContact C-N 3.33Å; H307-I309 PolarHBondContact O-N 3.3Å; H307-S310 PolarHBondContact O-N 3.22Å; H307-K311 VanDerWaalsContact O-CB 3.28Å; H307-K311 WeakPolarHBondContact O-CB 3.18Å; H307-K311 PolarHBondContact O-N 3.05Å
308	T	98.4	Very high	97.4	Very high	18 Å²	18	58.1 Å²	58.1	11%	0.11	28%	0.283	C	S	.	.	H	α-helix	trans	-56.6	-46.6	174.7	-61.7	0	0	0	0	111.1	Q304 L305 K311 N312 L326 E328	Q304-T308 PolarHBondContact O-N 3.02Å; Q304-T308 PolarHBondContact O-OG1 3.08Å; L305-T308 WeakPolarHBondContact O-CB 3.45Å; L305-T308 PolarHBondContact O-N 2.88Å; L305-T308 VanDerWaalsContact O-N 3.17Å; T308-K311 PolarHBondContact O-N 2.8Å; T308-N312 PolarHBondContact O-N 2.8Å; T308-N312 PolarHBondContact O-ND2 2.98Å; T308-L326 HydrophobicContact CG2-CD1 3.93Å; T308-E328 WeakPolarHBondContact CB-OE1 3.24Å; T308-E328 HydrophobicContact CG2-CG 4Å; T308-E328 WeakPolarHBondContact CG2-OE1 3.48Å; T308-E328 PolarHBondContact OG1-OE1 2.88Å
309	I	98.4	Very high	97.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-51.1	177.5	-69	162.7	0	0	0	110.8	K288 L305 H307 K311 N312 F313 G314 F318 L323 L335 L338 V344	K288-I309 HydrophobicContact CB-CG2 4.08Å; L305-I309 HydrophobicContact CG-CD1 3.97Å; L305-I309 VanDerWaalsContact O-CG1 3.32Å; L305-I309 WeakPolarHBondContact O-CG1 3.3Å; L305-I309 PolarHBondContact O-N 2.78Å; H307-I309 VanDerWaalsContact C-N 3.33Å; H307-I309 PolarHBondContact O-N 3.3Å; I309-K311 VanDerWaalsContact C-N 3.27Å; I309-K311 PolarHBondContact O-N 3.05Å; I309-N312 PolarHBondContact O-N 3.32Å; I309-F313 HydrophobicContact CB-CD2 4.42Å; I309-F313 HydrophobicContact CG1-CD2 4.44Å; I309-F313 HydrophobicContact CG2-CD2 4.34Å; I309-F313 WeakPolarHBondContact O-CA 3.48Å; I309-F313 PolarHBondContact O-N 3.06Å; I309-G314 PolarHBondContact O-N 3.19Å; I309-G314 VanDerWaalsContact O-N 3.08Å; I309-F318 HydrophobicContact CD1-CE1 4.24Å; I309-F318 HydrophobicContact CD1-CE2 4.11Å; I309-F318 HydrophobicContact CD1-CZ 3.54Å; I309-F318 HydrophobicContact CG1-CE1 4.15Å; I309-F318 HydrophobicContact CG1-CE2 4.11Å; I309-F318 HydrophobicContact CG1-CZ 3.74Å; I309-F318 HydrophobicContact CG2-CD1 4.28Å; I309-F318 HydrophobicContact CG2-CE1 3.67Å; I309-F318 HydrophobicContact CG2-CZ 4.11Å; I309-L323 HydrophobicContact CG1-CD2 4.37Å; I309-L335 HydrophobicContact CD1-CD1 4.46Å; I309-L338 HydrophobicContact CD1-CD1 3.69Å; I309-V344 HydrophobicContact CD1-CG2 4.1Å
310	S	96.9	Very high	98	Very high	39 Å²	39	43.9 Å²	43.9	27%	0.273	22%	0.223	S	C	.	.	H	α-helix	trans	-63.5	-34.1	-177.7	-60	0	0	0	0	112.4	K288 L306 H307 G314	K288-S310 PolarHBondContact NZ-OG 3.28Å; L306-S310 WeakPolarHBondContact O-CB 3.5Å; L306-S310 PolarHBondContact O-N 2.83Å; L306-S310 PolarHBondContact O-OG 3.23Å; H307-S310 PolarHBondContact O-N 3.22Å; S310-G314 PolarHBondContact O-N 3.14Å
311	K	97.7	Very high	98.1	Very high	141 Å²	141	40.8 Å²	40.8	61%	0.613	19%	0.194	S	C	*	.	H	α-helix	trans	-72.9	-41.8	179.6	-179.9	-178.9	175.2	-174.4	0	112.8	H307 T308 I309	H307-K311 VanDerWaalsContact O-CB 3.28Å; H307-K311 WeakPolarHBondContact O-CB 3.18Å; H307-K311 PolarHBondContact O-N 3.05Å; T308-K311 PolarHBondContact O-N 2.8Å; I309-K311 VanDerWaalsContact C-N 3.27Å; I309-K311 PolarHBondContact O-N 3.05Å
312	N	98.6	Very high	98.2	Very high	55 Å²	55	36.3 Å²	36.3	29%	0.294	18%	0.177	S	C	.	.	H	α-helix	trans	-99.7	-28.9	-169.8	-63.7	-79.4	0	0	0	113.5	L116 T308 I309 L326	L116-N312 WeakPolarHBondContact CD2-O 3.37Å; T308-N312 PolarHBondContact O-N 2.8Å; T308-N312 PolarHBondContact O-ND2 2.98Å; I309-N312 PolarHBondContact O-N 3.32Å; N312-L326 HydrophobicContact CB-CD1 3.86Å
313	F	98.5	Very high	98.2	Very high	20 Å²	20	36.3 Å²	36.3	9%	0.088	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-25.3	-175.6	-46	-57	0	0	0	112.4	L116 I309 T315 L316 F318 W322 L323 L326	L116-F313 VanDerWaalsContact CD2-C 3.48Å; I309-F313 HydrophobicContact CB-CD2 4.42Å; I309-F313 HydrophobicContact CG1-CD2 4.44Å; I309-F313 HydrophobicContact CG2-CD2 4.34Å; I309-F313 WeakPolarHBondContact O-CA 3.48Å; I309-F313 PolarHBondContact O-N 3.06Å; F313-T315 PolarHBondContact O-N 3.3Å; F313-L316 WeakPolarHBondContact O-CB 3.47Å; F313-L316 WeakPolarHBondContact O-CG 3.46Å; F313-L316 PolarHBondContact O-N 3.42Å; F313-F318 HydrophobicContact CB-CB 4.34Å; F313-F318 HydrophobicContact CB-CD1 4.24Å; F313-F318 HydrophobicContact CD1-CB 3.83Å; F313-F318 HydrophobicContact CD2-CB 3.53Å; F313-F318 AromaticContact CD2-CD1 3.76Å; F313-F318 HydrophobicContact CD2-CD1 3.76Å; F313-F318 HydrophobicContact CD2-CD2 4.13Å; F313-F318 AromaticContact CD2-CG 3.53Å; F313-F318 HydrophobicContact CD2-CG 3.53Å; F313-F318 HydrophobicContact CE1-CB 3.97Å; F313-F318 HydrophobicContact CE2-CB 3.68Å; F313-F318 HydrophobicContact CE2-CD1 4.45Å; F313-F318 HydrophobicContact CE2-CD2 4.01Å; F313-F318 AromaticContact CE2-CG 3.8Å; F313-F318 HydrophobicContact CE2-CG 3.8Å; F313-F318 HydrophobicContact CG-CB 3.62Å; F313-F318 HydrophobicContact CG-CD1 4.15Å; F313-F318 HydrophobicContact CG-CG 4.05Å; F313-F318 HydrophobicContact CZ-CB 3.9Å; F313-F318 HydrophobicContact CZ-CG 4.49Å; F313-W322 HydrophobicContact CD1-CE3 4.26Å; F313-W322 HydrophobicContact CE1-CB 4.2Å; F313-W322 AromaticContact CE1-CE3 3.83Å; F313-W322 HydrophobicContact CE1-CE3 3.83Å; F313-W322 HydrophobicContact CZ-CB 3.93Å; F313-L323 HydrophobicContact CE2-CD2 3.88Å; F313-L326 HydrophobicContact CE1-CD1 4.47Å; F313-L326 HydrophobicContact CE2-CD1 4.07Å; F313-L326 HydrophobicContact CZ-CD1 3.62Å
314	G	97.4	Very high	98.3	Very high	14 Å²	14	33.6 Å²	33.6	14%	0.144	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	-111.1	-174.3	0	0	0	0	0	109.7	K288 I309 S310	K288-G314 VanDerWaalsContact CB-O 3.26Å; K288-G314 WeakPolarHBondContact CB-O 3.29Å; K288-G314 VanDerWaalsContact CD-O 3.31Å; K288-G314 WeakPolarHBondContact CD-O 3.34Å; I309-G314 PolarHBondContact O-N 3.19Å; I309-G314 VanDerWaalsContact O-N 3.08Å; S310-G314 PolarHBondContact O-N 3.14Å
315	T	98.3	Very high	98.3	Very high	26 Å²	26	34.8 Å²	34.8	16%	0.16	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	10.5	174.9	53.2	0	0	0	0	113.2	Y239 I287 Y290 F313	Y239-T315 WeakPolarHBondContact CB-OG1 3.49Å; Y239-T315 CarbonylContact O-C 3.52Å; Y239-T315 WeakPolarHBondContact O-CB 3.37Å; Y239-T315 PolarHBondContact O-OG1 3.14Å; I287-T315 WeakPolarHBondContact CG2-O 3.39Å; Y290-T315 HydrophobicContact CD2-CG2 3.88Å; Y290-T315 HydrophobicContact CG-CG2 4.48Å; F313-T315 PolarHBondContact O-N 3.3Å
316	L	98.8	Very high	98.3	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.037	19%	0.187	C	C	.	.	S	Bend	trans	-74	160.4	170.8	-62.4	171.9	0	0	0	110.9	A121 H158 I163 Y239 F313	A121-L316 HydrophobicContact CB-CD2 4.49Å; A121-L316 WeakPolarHBondContact O-CB 3.24Å; H158-L316 VanDerWaalsContact CD2-CD1 3.49Å; H158-L316 WeakPolarHBondContact CD2-CD1 3.42Å; H158-L316 VanDerWaalsContact NE2-CD1 3.26Å; H158-L316 WeakPolarHBondContact NE2-CD1 3.48Å; I163-L316 HydrophobicContact CD1-CD2 3.83Å; I163-L316 HydrophobicContact CG1-CD2 4.18Å; Y239-L316 HydrophobicContact CD1-CD1 4.14Å; Y239-L316 HydrophobicContact CD1-CD2 4.17Å; Y239-L316 HydrophobicContact CD1-CG 4.09Å; F313-L316 WeakPolarHBondContact O-CB 3.47Å; F313-L316 WeakPolarHBondContact O-CG 3.46Å; F313-L316 PolarHBondContact O-N 3.42Å
317	G	98.6	Very high	98.3	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	146.3	176.4	0	0	0	0	0	111.9	A121 W322	A121-G317 PolarHBondContact O-N 2.85Å; G317-W322 WeakPolarHBondContact O-CZ3 3.33Å
318	F	98.9	Very high	98.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	165.4	174.7	67.3	-85.5	0	0	0	111.3	P123 Y286 I309 F313 W322 L323 L335 V344	P123-F318 WeakPolarHBondContact CG-O 3.47Å; Y286-F318 HydrophobicContact CD2-CE2 4.26Å; Y286-F318 HydrophobicContact CG-CE2 4.11Å; Y286-F318 HydrophobicContact CG-CZ 4.21Å; Y286-F318 PolarHBondContact N-O 3.24Å; Y286-F318 VanDerWaalsContact O-CD1 3.23Å; Y286-F318 WeakPolarHBondContact O-CD1 3.41Å; Y286-F318 PolarHBondContact O-N 3.27Å; I309-F318 HydrophobicContact CD1-CE1 4.24Å; I309-F318 HydrophobicContact CD1-CE2 4.11Å; I309-F318 HydrophobicContact CD1-CZ 3.54Å; I309-F318 HydrophobicContact CG1-CE1 4.15Å; I309-F318 HydrophobicContact CG1-CE2 4.11Å; I309-F318 HydrophobicContact CG1-CZ 3.74Å; I309-F318 HydrophobicContact CG2-CD1 4.28Å; I309-F318 HydrophobicContact CG2-CE1 3.67Å; I309-F318 HydrophobicContact CG2-CZ 4.11Å; F313-F318 HydrophobicContact CB-CB 4.34Å; F313-F318 HydrophobicContact CB-CD1 4.24Å; F313-F318 HydrophobicContact CD1-CB 3.83Å; F313-F318 HydrophobicContact CD2-CB 3.53Å; F313-F318 AromaticContact CD2-CD1 3.76Å; F313-F318 HydrophobicContact CD2-CD1 3.76Å; F313-F318 HydrophobicContact CD2-CD2 4.13Å; F313-F318 AromaticContact CD2-CG 3.53Å; F313-F318 HydrophobicContact CD2-CG 3.53Å; F313-F318 HydrophobicContact CE1-CB 3.97Å; F313-F318 HydrophobicContact CE2-CB 3.68Å; F313-F318 HydrophobicContact CE2-CD1 4.45Å; F313-F318 HydrophobicContact CE2-CD2 4.01Å; F313-F318 AromaticContact CE2-CG 3.8Å; F313-F318 HydrophobicContact CE2-CG 3.8Å; F313-F318 HydrophobicContact CG-CB 3.62Å; F313-F318 HydrophobicContact CG-CD1 4.15Å; F313-F318 HydrophobicContact CG-CG 4.05Å; F313-F318 HydrophobicContact CZ-CB 3.9Å; F313-F318 HydrophobicContact CZ-CG 4.49Å; F318-W322 HydrophobicContact CB-CE3 3.86Å; F318-W322 HydrophobicContact CB-CZ3 4.42Å; F318-L323 HydrophobicContact CD2-CD1 4.3Å; F318-L323 HydrophobicContact CD2-CD2 4.42Å; F318-L323 HydrophobicContact CD2-CG 4.18Å; F318-L323 HydrophobicContact CE2-CD1 3.95Å; F318-L323 HydrophobicContact CE2-CD2 4.45Å; F318-L323 HydrophobicContact CE2-CG 4.29Å; F318-L335 HydrophobicContact CE2-CD1 4.29Å; F318-L335 HydrophobicContact CZ-CD1 4.29Å; F318-V344 HydrophobicContact CE1-CG1 4.3Å; F318-V344 HydrophobicContact CZ-CG1 3.97Å
319	C	98.9	Very high	98.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	170.1	175.2	68.7	0	0	0	0	112.4	P123 T136 S284 R321 W322 L323	P123-C319 HydrophobicContact CB-CB 3.76Å; P123-C319 HydrophobicContact CG-CB 3.57Å; T136-C319 HydrophobicContact CG2-CB 3.8Å; S284-C319 WeakPolarHBondContact O-CA 3.46Å; S284-C319 VanDerWaalsContact O-CB 3.28Å; S284-C319 WeakPolarHBondContact O-CB 3.41Å; C319-R321 VanDerWaalsContact C-N 3.33Å; C319-R321 PolarHBondContact O-N 3.38Å; C319-W322 PolarHBondContact O-N 3.09Å; C319-W322 VanDerWaalsContact O-N 3.1Å; C319-W322 VanDerWaalsContact SG-CG 3.59Å; C319-L323 PolarHBondContact O-N 2.7Å
320	R	98.9	Very high	98.2	Very high	30 Å²	30	46.7 Å²	46.7	11%	0.113	24%	0.243	C	C	.	.	H	α-helix	trans	-56.2	-44.6	177.3	-61.9	-162.4	-172.3	172.3	12.2	112.5	N138 E282 C283 S284 Y286 W322 L323 D324 Y331	N138-R320 WeakPolarHBondContact OD1-CB 3.4Å; N138-R320 WeakPolarHBondContact OD1-CD 3.48Å; N138-R320 WeakPolarHBondContact OD1-CG 3.46Å; E282-R320 IonicContact OE1-CZ 2.8Å; E282-R320 IonicContact OE1-NH1 2.8Å; E282-R320 PolarHBondContact OE1-NH1 3.08Å; E282-R320 IonicContact OE1-NH2 2.65Å; E282-R320 PolarHBondContact OE1-NH2 3.35Å; C283-R320 VanDerWaalsContact O-CZ 3.29Å; C283-R320 PolarHBondContact O-NE 3.11Å; C283-R320 PolarHBondContact O-NH2 3.08Å; S284-R320 PolarHBondContact O-N 3.19Å; Y286-R320 HydrophobicContact CE2-CG 3.82Å; Y286-R320 PolarHBondContact OH-NE 2.95Å; Y286-R320 PolarHBondContact OH-NH2 3.45Å; R320-W322 PolarHBondContact O-N 3.48Å; R320-W322 VanDerWaalsContact O-N 3.14Å; R320-L323 WeakPolarHBondContact O-CA 3.44Å; R320-L323 WeakPolarHBondContact O-CB 3.35Å; R320-L323 PolarHBondContact O-N 3.32Å; R320-D324 PolarHBondContact O-N 2.94Å; R320-Y331 WeakPolarHBondContact CA-OH 3.41Å; R320-Y331 WeakPolarHBondContact CB-OH 3.39Å; R320-Y331 HydrophobicContact CG-CE2 4.47Å; R320-Y331 PolarHBondContact O-OH 3.23Å; R320-Y331 VanDerWaalsContact O-OH 3.07Å
321	R	98.8	Very high	98.3	Very high	14 Å²	14	45.3 Å²	45.3	5%	0.053	23%	0.231	C	C	.	.	H	α-helix	trans	-56.3	-33.2	177.3	-68.5	-176.9	-67.7	100.5	2.9	113	E104 T136 P137 C319 D324 R325	E104-R321 IonicContact OE1-CZ 2.79Å; E104-R321 VanDerWaalsContact OE1-CZ 3.29Å; E104-R321 IonicContact OE1-NH1 3.29Å; E104-R321 PolarHBondContact OE1-NH1 3.06Å; E104-R321 IonicContact OE1-NH2 3.55Å; E104-R321 PolarHBondContact OE1-NH2 3.38Å; E104-R321 IonicContact OE2-NH1 3.46Å; E104-R321 PolarHBondContact OE2-NH1 2.81Å; T136-R321 PolarHBondContact OG1-NH2 2.81Å; P137-R321 WeakPolarHBondContact O-CD 3.32Å; P137-R321 WeakPolarHBondContact O-CG 3.24Å; P137-R321 PolarHBondContact O-NE 2.9Å; C319-R321 VanDerWaalsContact C-N 3.33Å; C319-R321 PolarHBondContact O-N 3.38Å; R321-D324 PolarHBondContact O-N 3.38Å; R321-R325 WeakPolarHBondContact O-CB 3.38Å; R321-R325 PolarHBondContact O-N 2.86Å
322	W	98.8	Very high	98.3	Very high	12 Å²	12	42.8 Å²	42.8	5%	0.045	22%	0.224	C	C	.	.	H	α-helix	trans	-74.6	-33.9	178.4	-63.7	-0.8	0	0	0	111.9	E104 L120 F122 P123 F313 G317 F318 C319 R320 R325 L326	E104-W322 VanDerWaalsContact CD-NE1 3.3Å; E104-W322 PolarHBondContact OE1-NE1 2.82Å; E104-W322 PolarHBondContact OE2-NE1 2.81Å; L120-W322 HydrophobicContact CB-CH2 3.57Å; L120-W322 HydrophobicContact CB-CZ2 3.99Å; L120-W322 HydrophobicContact CB-CZ3 4.4Å; L120-W322 HydrophobicContact CD1-CH2 4.04Å; L120-W322 HydrophobicContact CD1-CZ2 3.55Å; L120-W322 HydrophobicContact CG-CH2 4.46Å; L120-W322 HydrophobicContact CG-CZ2 4.43Å; F122-W322 WeakPolarHBondContact O-CH2 3.29Å; P123-W322 HydrophobicContact CB-CH2 4.44Å; P123-W322 HydrophobicContact CB-CZ2 4.21Å; P123-W322 HydrophobicContact CG-CH2 4.31Å; P123-W322 HydrophobicContact CG-CZ2 4.48Å; P123-W322 HydrophobicContact CG-CZ3 4.4Å; F313-W322 HydrophobicContact CD1-CE3 4.26Å; F313-W322 HydrophobicContact CE1-CB 4.2Å; F313-W322 AromaticContact CE1-CE3 3.83Å; F313-W322 HydrophobicContact CE1-CE3 3.83Å; F313-W322 HydrophobicContact CZ-CB 3.93Å; G317-W322 WeakPolarHBondContact O-CZ3 3.33Å; F318-W322 HydrophobicContact CB-CE3 3.86Å; F318-W322 HydrophobicContact CB-CZ3 4.42Å; C319-W322 PolarHBondContact O-N 3.09Å; C319-W322 VanDerWaalsContact O-N 3.1Å; C319-W322 VanDerWaalsContact SG-CG 3.59Å; R320-W322 PolarHBondContact O-N 3.48Å; R320-W322 VanDerWaalsContact O-N 3.14Å; W322-R325 PolarHBondContact O-N 3.47Å; W322-L326 WeakPolarHBondContact O-CG 3.25Å; W322-L326 PolarHBondContact O-N 2.86Å
323	L	98.8	Very high	98.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-43.3	168.9	-65.8	175.6	0	0	0	111.2	L305 I309 F313 F318 C319 R320 R325 L326 G327 E328 Y331 L335	L305-L323 HydrophobicContact CD1-CD1 4.14Å; L305-L323 HydrophobicContact CD1-CD2 3.96Å; I309-L323 HydrophobicContact CG1-CD2 4.37Å; F313-L323 HydrophobicContact CE2-CD2 3.88Å; F318-L323 HydrophobicContact CD2-CD1 4.3Å; F318-L323 HydrophobicContact CD2-CD2 4.42Å; F318-L323 HydrophobicContact CD2-CG 4.18Å; F318-L323 HydrophobicContact CE2-CD1 3.95Å; F318-L323 HydrophobicContact CE2-CD2 4.45Å; F318-L323 HydrophobicContact CE2-CG 4.29Å; C319-L323 PolarHBondContact O-N 2.7Å; R320-L323 WeakPolarHBondContact O-CA 3.44Å; R320-L323 WeakPolarHBondContact O-CB 3.35Å; R320-L323 PolarHBondContact O-N 3.32Å; L323-R325 VanDerWaalsContact C-N 3.33Å; L323-R325 PolarHBondContact O-N 3.23Å; L323-L326 WeakPolarHBondContact O-CB 3.45Å; L323-L326 PolarHBondContact O-N 2.86Å; L323-L326 VanDerWaalsContact O-N 3.09Å; L323-G327 PolarHBondContact O-N 3.48Å; L323-E328 HydrophobicContact CB-CB 4.18Å; L323-E328 HydrophobicContact CD2-CG 4.46Å; L323-E328 WeakPolarHBondContact O-CB 3.47Å; L323-E328 PolarHBondContact O-N 3.29Å; L323-E328 VanDerWaalsContact O-N 3.12Å; L323-Y331 HydrophobicContact CB-CD1 4.49Å; L323-Y331 HydrophobicContact CB-CE1 4.01Å; L323-Y331 HydrophobicContact CB-CE2 4.2Å; L323-Y331 HydrophobicContact CD1-CD2 3.74Å; L323-Y331 HydrophobicContact CD1-CE2 3.55Å; L323-Y331 HydrophobicContact CD1-CG 4.41Å; L323-L335 HydrophobicContact CD1-CD2 4.3Å
324	D	98.6	Very high	98.2	Very high	61 Å²	61	45.6 Å²	45.6	33%	0.326	24%	0.24	S	C	.	.	H	α-helix	trans	-57.7	-45.1	175.6	-63	-43.6	0	0	0	111.3	R320 R321 L326 G327 Y331	R320-D324 PolarHBondContact O-N 2.94Å; R321-D324 PolarHBondContact O-N 3.38Å; D324-L326 PolarHBondContact O-N 2.95Å; D324-G327 WeakPolarHBondContact O-CA 3.34Å; D324-G327 PolarHBondContact O-N 3.17Å; D324-Y331 WeakPolarHBondContact OD1-CE1 3.47Å; D324-Y331 PolarHBondContact OD1-OH 2.92Å; D324-Y331 VanDerWaalsContact OD1-OH 3.08Å
325	R	98	Very high	98.3	Very high	138 Å²	138	45 Å²	45	52%	0.521	23%	0.234	S	C	.	.	H	α-helix	trans	-60.4	-31.5	176.2	-178.4	-177.5	-69	-96.9	-1.4	113	R321 W322 L323 G327	R321-R325 WeakPolarHBondContact O-CB 3.38Å; R321-R325 PolarHBondContact O-N 2.86Å; W322-R325 PolarHBondContact O-N 3.47Å; L323-R325 VanDerWaalsContact C-N 3.33Å; L323-R325 PolarHBondContact O-N 3.23Å; R325-G327 PolarHBondContact O-N 3.47Å
326	L	98.1	Very high	98.3	Very high	77 Å²	77	49.1 Å²	49.1	40%	0.403	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-1.6	175.1	-67	172.4	0	0	0	113	T308 N312 F313 W322 L323 D324 E328	T308-L326 HydrophobicContact CG2-CD1 3.93Å; N312-L326 HydrophobicContact CB-CD1 3.86Å; F313-L326 HydrophobicContact CE1-CD1 4.47Å; F313-L326 HydrophobicContact CE2-CD1 4.07Å; F313-L326 HydrophobicContact CZ-CD1 3.62Å; W322-L326 WeakPolarHBondContact O-CG 3.25Å; W322-L326 PolarHBondContact O-N 2.86Å; L323-L326 WeakPolarHBondContact O-CB 3.45Å; L323-L326 PolarHBondContact O-N 2.86Å; L323-L326 VanDerWaalsContact O-N 3.09Å; D324-L326 PolarHBondContact O-N 2.95Å; L326-E328 VanDerWaalsContact C-N 3.35Å
327	G	98.1	Very high	98.2	Very high	56 Å²	56	50.2 Å²	50.2	58%	0.577	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	10.4	-179.1	0	0	0	0	0	114	L323 D324 R325 T329	L323-G327 PolarHBondContact O-N 3.48Å; D324-G327 WeakPolarHBondContact O-CA 3.34Å; D324-G327 PolarHBondContact O-N 3.17Å; R325-G327 PolarHBondContact O-N 3.47Å; G327-T329 PolarHBondContact O-N 3.3Å
328	E	98.3	Very high	98.2	Very high	20 Å²	20	50 Å²	50	9%	0.093	25%	0.254	C	S	.	.			trans	-66.5	134	171.2	-69.3	-67.5	168.7	0	0	109.2	L305 T308 L323 L326 Y331	L305-E328 HydrophobicContact CD1-CG 4.22Å; T308-E328 WeakPolarHBondContact CB-OE1 3.24Å; T308-E328 HydrophobicContact CG2-CG 4Å; T308-E328 WeakPolarHBondContact CG2-OE1 3.48Å; T308-E328 PolarHBondContact OG1-OE1 2.88Å; L323-E328 HydrophobicContact CB-CB 4.18Å; L323-E328 HydrophobicContact CD2-CG 4.46Å; L323-E328 WeakPolarHBondContact O-CB 3.47Å; L323-E328 PolarHBondContact O-N 3.29Å; L323-E328 VanDerWaalsContact O-N 3.12Å; L326-E328 VanDerWaalsContact C-N 3.35Å; E328-Y331 HydrophobicContact CB-CD1 3.66Å; E328-Y331 HydrophobicContact CB-CE1 4.21Å; E328-Y331 HydrophobicContact CB-CG 4.34Å
329	T	97.2	Very high	98.1	Very high	91 Å²	91	51.5 Å²	51.5	56%	0.558	26%	0.264	S	S	*	.			trans	-131.1	157.5	177.4	59.7	0	0	0	0	110	R301 G327 Y331	R301-T329 PolarHBondContact NH2-O 3.4Å; G327-T329 PolarHBondContact O-N 3.3Å; T329-Y331 PolarHBondContact O-N 3.47Å
330	K	96.6	Very high	98	Very high	176 Å²	176	56.2 Å²	56.2	77%	0.765	29%	0.289	S	S	*	.	S	Bend	trans	43.8	36.4	178.1	-50.8	176.9	179.3	179.5	0	113.3	R301	R301-K330 VanDerWaalsContact CZ-O 3.27Å; R301-K330 PolarHBondContact NE-O 3.27Å; R301-K330 VanDerWaalsContact NE-O 3.14Å
331	Y	98.1	Very high	97.8	Very high	10 Å²	10	60.2 Å²	60.2	4%	0.039	31%	0.307	C	S	.	.			trans	-90.5	-9.8	-172	58	-99.4	0	0	0	113.2	R320 L323 D324 E328 T329 L333 A334 L335	R320-Y331 WeakPolarHBondContact CA-OH 3.41Å; R320-Y331 WeakPolarHBondContact CB-OH 3.39Å; R320-Y331 HydrophobicContact CG-CE2 4.47Å; R320-Y331 PolarHBondContact O-OH 3.23Å; R320-Y331 VanDerWaalsContact O-OH 3.07Å; L323-Y331 HydrophobicContact CB-CD1 4.49Å; L323-Y331 HydrophobicContact CB-CE1 4.01Å; L323-Y331 HydrophobicContact CB-CE2 4.2Å; L323-Y331 HydrophobicContact CD1-CD2 3.74Å; L323-Y331 HydrophobicContact CD1-CE2 3.55Å; L323-Y331 HydrophobicContact CD1-CG 4.41Å; D324-Y331 WeakPolarHBondContact OD1-CE1 3.47Å; D324-Y331 PolarHBondContact OD1-OH 2.92Å; D324-Y331 VanDerWaalsContact OD1-OH 3.08Å; E328-Y331 HydrophobicContact CB-CD1 3.66Å; E328-Y331 HydrophobicContact CB-CE1 4.21Å; E328-Y331 HydrophobicContact CB-CG 4.34Å; T329-Y331 PolarHBondContact O-N 3.47Å; Y331-L333 VanDerWaalsContact C-N 3.31Å; Y331-L333 PolarHBondContact O-N 2.96Å; Y331-A334 CarbonylContact O-C 3.48Å; Y331-A334 WeakPolarHBondContact O-CA 3.27Å; Y331-A334 WeakPolarHBondContact O-CB 3.3Å; Y331-A334 PolarHBondContact O-N 2.87Å; Y331-L335 HydrophobicContact CD2-CB 4.41Å; Y331-L335 HydrophobicContact CD2-CD2 4.29Å; Y331-L335 HydrophobicContact CE2-CD2 4.23Å; Y331-L335 PolarHBondContact O-N 3.28Å
332	L	97.9	Very high	97.7	Very high	88 Å²	88	67.3 Å²	67.3	46%	0.461	34%	0.34	S	S	.	.	H	α-helix	trans	-55.4	-40.4	-173	-63.5	-179.7	0	0	0	114	L335 K336	L332-L335 PolarHBondContact O-N 3.29Å; L332-K336 WeakPolarHBondContact O-CB 3.4Å; L332-K336 PolarHBondContact O-N 2.93Å
333	L	97.6	Very high	97.6	Very high	131 Å²	131	66.8 Å²	66.8	69%	0.686	34%	0.339	S	S	*	.	H	α-helix	trans	-67.6	-37.6	176.7	-175.6	64.2	0	0	0	112	Y331 D337	Y331-L333 VanDerWaalsContact C-N 3.31Å; Y331-L333 PolarHBondContact O-N 2.96Å; L333-D337 PolarHBondContact O-N 2.8Å
334	A	98.2	Very high	97.6	Very high	3 Å²	3	66.9 Å²	66.9	3%	0.025	34%	0.339	C	S	.	.	H	α-helix	trans	-68.1	-41.3	175	0	0	0	0	0	110.9	R301 L305 Y331 D337 L338	R301-A334 HydrophobicContact CB-CB 4.16Å; R301-A334 HydrophobicContact CG-CB 3.94Å; L305-A334 HydrophobicContact CB-CB 4.36Å; L305-A334 HydrophobicContact CD2-CB 3.9Å; Y331-A334 CarbonylContact O-C 3.48Å; Y331-A334 WeakPolarHBondContact O-CA 3.27Å; Y331-A334 WeakPolarHBondContact O-CB 3.3Å; Y331-A334 PolarHBondContact O-N 2.87Å; A334-D337 PolarHBondContact O-N 2.76Å; A334-L338 WeakPolarHBondContact O-CG 3.35Å; A334-L338 PolarHBondContact O-N 2.93Å
335	L	98.5	Very high	97.5	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-63.2	-42	176.3	-172.8	56.8	0	0	0	111.5	Y286 L305 I309 F318 L323 Y331 L332 L338 C339 V344	Y286-L335 HydrophobicContact CD1-CD1 4Å; Y286-L335 HydrophobicContact CD1-CD2 4.14Å; Y286-L335 HydrophobicContact CD1-CG 4.11Å; Y286-L335 HydrophobicContact CD2-CD2 3.95Å; Y286-L335 HydrophobicContact CE1-CD1 4.29Å; Y286-L335 HydrophobicContact CE1-CD2 3.77Å; Y286-L335 HydrophobicContact CE1-CG 3.86Å; Y286-L335 HydrophobicContact CE2-CD2 3.59Å; Y286-L335 HydrophobicContact CG-CD1 4.22Å; Y286-L335 HydrophobicContact CG-CD2 4.22Å; Y286-L335 VanDerWaalsContact CZ-CD2 3.48Å; L305-L335 HydrophobicContact CD2-CB 3.81Å; L305-L335 HydrophobicContact CD2-CD1 4.25Å; I309-L335 HydrophobicContact CD1-CD1 4.46Å; F318-L335 HydrophobicContact CE2-CD1 4.29Å; F318-L335 HydrophobicContact CZ-CD1 4.29Å; L323-L335 HydrophobicContact CD1-CD2 4.3Å; Y331-L335 HydrophobicContact CD2-CB 4.41Å; Y331-L335 HydrophobicContact CD2-CD2 4.29Å; Y331-L335 HydrophobicContact CE2-CD2 4.23Å; Y331-L335 PolarHBondContact O-N 3.28Å; L332-L335 PolarHBondContact O-N 3.29Å; L335-L338 PolarHBondContact O-N 2.76Å; L335-C339 PolarHBondContact O-N 3Å; L335-C339 PolarHBondContact O-SG 3.32Å; L335-V344 HydrophobicContact CD1-CG1 4.36Å
336	K	97.9	Very high	97.6	Very high	112 Å²	112	61 Å²	61	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-60.3	-46.3	172.8	-170.5	-167.9	-178.2	-52.3	0	111.5	L332 L338 C339 D340	L332-K336 WeakPolarHBondContact O-CB 3.4Å; L332-K336 PolarHBondContact O-N 2.93Å; K336-L338 VanDerWaalsContact C-N 3.29Å; K336-L338 PolarHBondContact O-N 2.84Å; K336-C339 WeakPolarHBondContact O-CB 3.29Å; K336-C339 PolarHBondContact O-N 2.98Å; K336-D340 IonicContact NZ-OD1 2.68Å; K336-D340 PolarHBondContact NZ-OD1 3.1Å; K336-D340 IonicContact NZ-OD2 3.42Å; K336-D340 PolarHBondContact NZ-OD2 3.41Å; K336-D340 VanDerWaalsContact O-CG 3.26Å; K336-D340 PolarHBondContact O-N 3.37Å
337	D	97.8	Very high	97.6	Very high	30 Å²	30	60.8 Å²	60.8	16%	0.16	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-38.8	176.6	-179.2	60	0	0	0	111.6	L299 S302 L333 A334 C339 D340 K341	L299-D337 HydrophobicContact CD1-CB 4.3Å; S302-D337 WeakPolarHBondContact CB-OD2 3.33Å; S302-D337 PolarHBondContact OG-OD2 2.71Å; L333-D337 PolarHBondContact O-N 2.8Å; A334-D337 PolarHBondContact O-N 2.76Å; D337-C339 VanDerWaalsContact C-N 3.32Å; D337-C339 PolarHBondContact O-N 2.86Å; D337-D340 PolarHBondContact O-N 3.14Å; D337-K341 WeakPolarHBondContact O-CB 3.29Å; D337-K341 WeakPolarHBondContact O-CG 3.21Å; D337-K341 PolarHBondContact O-N 3.19Å; D337-K341 VanDerWaalsContact O-N 3.08Å
338	L	98.1	Very high	97.6	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-37.5	173.4	-64.7	-179.9	0	0	0	112.7	L297 L305 L306 I309 A334 L335 K336 K341 E342 A343 V344	L297-L338 HydrophobicContact CD1-CD2 3.46Å; L297-L338 VanDerWaalsContact CD1-CD2 3.46Å; L297-L338 HydrophobicContact CD2-CD2 3.83Å; L297-L338 HydrophobicContact CG-CD2 4.29Å; L305-L338 HydrophobicContact CB-CD1 4.28Å; L305-L338 HydrophobicContact CD2-CD1 3.97Å; L305-L338 HydrophobicContact CG-CD1 4.05Å; L306-L338 HydrophobicContact CB-CD1 4.14Å; L306-L338 HydrophobicContact CB-CD2 3.92Å; L306-L338 HydrophobicContact CD2-CD2 4.44Å; I309-L338 HydrophobicContact CD1-CD1 3.69Å; A334-L338 WeakPolarHBondContact O-CG 3.35Å; A334-L338 PolarHBondContact O-N 2.93Å; L335-L338 PolarHBondContact O-N 2.76Å; K336-L338 VanDerWaalsContact C-N 3.29Å; K336-L338 PolarHBondContact O-N 2.84Å; L338-K341 PolarHBondContact O-N 3.05Å; L338-E342 PolarHBondContact O-N 3.24Å; L338-A343 HydrophobicContact CB-CB 4.4Å; L338-A343 HydrophobicContact CD2-CB 4.28Å; L338-A343 PolarHBondContact O-N 2.94Å; L338-V344 HydrophobicContact CB-CB 4.12Å; L338-V344 HydrophobicContact CB-CG2 3.88Å; L338-V344 HydrophobicContact CD1-CG2 4.09Å; L338-V344 PolarHBondContact O-N 2.75Å
339	C	97.5	Very high	97.6	Very high	31 Å²	31	58 Å²	58	21%	0.209	30%	0.299	C	S	.	.	H	α-helix	trans	-69.5	-46	175.9	-59.6	0	0	0	0	112	L335 K336 D337 K341 E342 V344	L335-C339 PolarHBondContact O-N 3Å; L335-C339 PolarHBondContact O-SG 3.32Å; K336-C339 WeakPolarHBondContact O-CB 3.29Å; K336-C339 PolarHBondContact O-N 2.98Å; D337-C339 VanDerWaalsContact C-N 3.32Å; D337-C339 PolarHBondContact O-N 2.86Å; C339-K341 PolarHBondContact O-N 3.19Å; C339-K341 VanDerWaalsContact O-N 3.1Å; C339-E342 PolarHBondContact O-N 3.14Å; C339-V344 VanDerWaalsContact CA-O 3.27Å; C339-V344 WeakPolarHBondContact CA-O 3.33Å
340	D	96.2	Very high	97.7	Very high	99 Å²	99	55 Å²	55	53%	0.529	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-20	176.7	-65.2	-15.5	0	0	0	112.2	K336 D337	K336-D340 IonicContact NZ-OD1 2.68Å; K336-D340 PolarHBondContact NZ-OD1 3.1Å; K336-D340 IonicContact NZ-OD2 3.42Å; K336-D340 PolarHBondContact NZ-OD2 3.41Å; K336-D340 VanDerWaalsContact O-CG 3.26Å; K336-D340 PolarHBondContact O-N 3.37Å; D337-D340 PolarHBondContact O-N 3.14Å
341	K	95.5	Very high	97.8	Very high	113 Å²	113	46.6 Å²	46.6	49%	0.491	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	7.7	177	-63.7	-65.9	172.8	-161.8	0	113.7	V295 L297 D337 L338 C339 A343	V295-K341 HydrophobicContact CG1-CB 3.91Å; L297-K341 HydrophobicContact CD2-CB 4.4Å; L297-K341 HydrophobicContact CD2-CG 4.18Å; D337-K341 WeakPolarHBondContact O-CB 3.29Å; D337-K341 WeakPolarHBondContact O-CG 3.21Å; D337-K341 PolarHBondContact O-N 3.19Å; D337-K341 VanDerWaalsContact O-N 3.08Å; L338-K341 PolarHBondContact O-N 3.05Å; C339-K341 PolarHBondContact O-N 3.19Å; C339-K341 VanDerWaalsContact O-N 3.1Å; K341-A343 PolarHBondContact O-N 3.42Å
342	E	95.4	Very high	97.9	Very high	163 Å²	163	46.1 Å²	46.1	76%	0.762	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	18.5	179.2	-56.8	176.6	164	0	0	113.4	L338 C339 V344	L338-E342 PolarHBondContact O-N 3.24Å; C339-E342 PolarHBondContact O-N 3.14Å; E342-V344 VanDerWaalsContact C-N 3.3Å
343	A	96.9	Very high	97.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	24%	0.236	C	C	.	.	S	Bend	trans	-75	-28	173.3	0	0	0	0	0	111.3	K288 D289 V295 L338 K341	K288-A343 WeakPolarHBondContact CG-O 3.48Å; D289-A343 PolarHBondContact N-O 2.7Å; V295-A343 HydrophobicContact CB-CB 4.27Å; V295-A343 HydrophobicContact CG1-CB 4.17Å; V295-A343 HydrophobicContact CG2-CB 3.83Å; L338-A343 HydrophobicContact CB-CB 4.4Å; L338-A343 HydrophobicContact CD2-CB 4.28Å; L338-A343 PolarHBondContact O-N 2.94Å; K341-A343 PolarHBondContact O-N 3.42Å
344	V	98.2	Very high	97.9	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	126.1	-177.5	175.1	0	0	0	0	107.7	Y286 I287 I309 F318 L335 L338 C339 E342	Y286-V344 HydrophobicContact CD1-CG1 4.1Å; Y286-V344 HydrophobicContact CG-CG1 4.38Å; I287-V344 CarbonylContact O-C 3.55Å; I287-V344 VanDerWaalsContact O-CA 3.3Å; I287-V344 WeakPolarHBondContact O-CA 3.25Å; I309-V344 HydrophobicContact CD1-CG2 4.1Å; F318-V344 HydrophobicContact CE1-CG1 4.3Å; F318-V344 HydrophobicContact CZ-CG1 3.97Å; L335-V344 HydrophobicContact CD1-CG1 4.36Å; L338-V344 HydrophobicContact CB-CB 4.12Å; L338-V344 HydrophobicContact CB-CG2 3.88Å; L338-V344 HydrophobicContact CD1-CG2 4.09Å; L338-V344 PolarHBondContact O-N 2.75Å; C339-V344 VanDerWaalsContact CA-O 3.27Å; C339-V344 WeakPolarHBondContact CA-O 3.33Å; E342-V344 VanDerWaalsContact C-N 3.3Å
345	G	98	Very high	97.8	Very high	27 Å²	27	49.5 Å²	49.5	28%	0.278	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	138.5	168.3	0	0	0	0	0	111	Y286 I287 Y347	Y286-G345 VanDerWaalsContact CA-O 3.27Å; Y286-G345 WeakPolarHBondContact CA-O 3.49Å; I287-G345 PolarHBondContact N-O 3.39Å; I287-G345 PolarHBondContact O-N 2.93Å; G345-Y347 WeakPolarHBondContact O-CD2 3.34Å
346	A	98.5	Very high	97.8	Very high	48 Å²	48	49.8 Å²	49.8	40%	0.397	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	134.4	169	0	0	0	0	0	109.3	Y286 P348	Y286-A346 HydrophobicContact CD1-CB 4.16Å; Y286-A346 HydrophobicContact CE1-CB 3.99Å; A346-P348 WeakPolarHBondContact O-CD 3.27Å
347	Y	98.7	Very high	97.9	Very high	73 Å²	73	47.1 Å²	47.1	29%	0.286	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	80	-178.5	-67.5	-96.6	0	0	0	108.5	H285 I287 G345	H285-Y347 WeakPolarHBondContact CB-O 3.5Å; H285-Y347 PolarHBondContact O-N 3.44Å; I287-Y347 HydrophobicContact CB-CD2 4.33Å; I287-Y347 HydrophobicContact CB-CE2 3.68Å; I287-Y347 HydrophobicContact CD1-CD2 4.09Å; I287-Y347 HydrophobicContact CD1-CE1 4.38Å; I287-Y347 HydrophobicContact CD1-CE2 3.68Å; I287-Y347 HydrophobicContact CG1-CD2 3.77Å; I287-Y347 HydrophobicContact CG1-CE2 3.49Å; I287-Y347 VanDerWaalsContact CG1-CE2 3.49Å; G345-Y347 WeakPolarHBondContact O-CD2 3.34Å
348	P	98.7	Very high	97.9	Very high	18 Å²	18	45.7 Å²	45.7	12%	0.117	25%	0.248	C	C	.	.			trans	-66.3	160.1	-179.5	28.4	-34.6	0	0	0	111.4	H134 E279 C283 A346 L350	H134-P348 WeakPolarHBondContact CB-O 3.44Å; E279-P348 HydrophobicContact CB-CB 4.25Å; E279-P348 HydrophobicContact CB-CG 3.67Å; E279-P348 HydrophobicContact CG-CG 3.53Å; C283-P348 HydrophobicContact CB-CB 4.1Å; A346-P348 WeakPolarHBondContact O-CD 3.27Å; P348-L350 PolarHBondContact O-N 3.5Å
349	P	98.9	Very high	98	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.248	C	C	.	.			trans	-52.9	137	172.7	-27	35.2	0	0	0	112.9	A133 Y135 E279 D280 M281	A133-P349 WeakPolarHBondContact O-CA 3.5Å; Y135-P349 HydrophobicContact CD2-CG 4.39Å; E279-P349 WeakPolarHBondContact CA-O 3.22Å; D280-P349 PolarHBondContact N-O 2.87Å; D280-P349 WeakPolarHBondContact O-CB 3.41Å; D280-P349 WeakPolarHBondContact O-CD 3.24Å; M281-P349 HydrophobicContact CB-CB 4.44Å; M281-P349 HydrophobicContact CB-CG 4.17Å; M281-P349 HydrophobicContact CE-CB 3.35Å; M281-P349 HydrophobicContact CE-CG 3.85Å
350	L	98.9	Very high	98	Very high	28 Å²	28	44.3 Å²	44.3	15%	0.147	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	108.3	-176.2	-63.3	-179	0	0	0	109.9	A132 A133 L231 V277 E279 P348	A132-L350 PolarHBondContact N-O 2.87Å; A133-L350 HydrophobicContact CB-CB 4.49Å; A133-L350 PolarHBondContact O-N 3.39Å; L231-L350 HydrophobicContact CD2-CD1 3.57Å; V277-L350 HydrophobicContact CB-CB 3.95Å; V277-L350 HydrophobicContact CG1-CB 4.33Å; V277-L350 HydrophobicContact CG2-CB 3.92Å; V277-L350 HydrophobicContact CG2-CD1 4.47Å; E279-L350 HydrophobicContact CG-CD2 4.2Å; P348-L350 PolarHBondContact O-N 3.5Å
351	C	98.9	Very high	98.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136	-170	-59	0	0	0	0	113.1	H130 C131 V277 H278 D280	H130-C351 CarbonylContact O-C 3.56Å; H130-C351 WeakPolarHBondContact O-CA 3.38Å; C131-C351 VanDerWaalsContact CB-SG 3.55Å; V277-C351 CarbonylContact C-O 3.48Å; V277-C351 WeakPolarHBondContact CA-O 3.27Å; H278-C351 PolarHBondContact CE1-O 2.79Å; H278-C351 PolarHBondContact N-O 3.19Å; H278-C351 PolarHBondContact ND1-O 3.08Å; H278-C351 PolarHBondContact O-N 3.01Å; D280-C351 HydrophobicContact CB-CB 4Å
352	D	98.8	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.			trans	-80.8	-172.3	161.9	-158.6	-33.4	0	0	0	109.1	H130 S271 K274 G275 Y276 K354 T358	H130-D352 PolarHBondContact O-N 2.88Å; S271-D352 WeakPolarHBondContact CB-OD2 3.39Å; S271-D352 PolarHBondContact OG-OD2 2.8Å; K274-D352 PolarHBondContact N-OD1 3.45Å; K274-D352 PolarHBondContact N-OD2 2.95Å; G275-D352 WeakPolarHBondContact CA-OD2 3.47Å; G275-D352 PolarHBondContact N-OD2 3.39Å; Y276-D352 PolarHBondContact N-OD2 2.81Å; D352-K354 PolarHBondContact O-N 2.79Å; D352-T358 HydrophobicContact CB-CG2 4.36Å
353	T	98	Very high	98.5	Very high	56 Å²	56	27.5 Å²	27.5	34%	0.344	16%	0.157	S	C	.	.	S	Bend	trans	-64.1	125.9	-175	-50.6	0	0	0	0	110.2	K274 G355 S356	K274-T353 WeakPolarHBondContact CD-OG1 3.5Å; K274-T353 WeakPolarHBondContact CG-OG1 3.49Å; T353-G355 PolarHBondContact O-N 2.99Å; T353-S356 WeakPolarHBondContact O-CB 3.49Å; T353-S356 PolarHBondContact O-N 3.39Å; T353-S356 PolarHBondContact O-OG 2.83Å
354	K	98	Very high	98.6	Very high	184 Å²	184	27.5 Å²	27.5	80%	0.8	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.3	130	176.3	-170.5	173.2	-174.4	170.2	0	112.3	D352	D352-K354 PolarHBondContact O-N 2.79Å
355	G	97.1	Very high	98.6	Very high	53 Å²	53	27.4 Å²	27.4	55%	0.546	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-7.1	-175.7	0	0	0	0	0	114.7	T353	T353-G355 PolarHBondContact O-N 2.99Å
356	S	98.5	Very high	98.7	Very high	7 Å²	7	26.1 Å²	26.1	5%	0.049	14%	0.143	C	C	.	.			trans	-79.3	167.9	165.1	70.9	0	0	0	0	112	H130 G273 T353	H130-S356 WeakPolarHBondContact CA-O 3.36Å; H130-S356 WeakPolarHBondContact CB-O 3.24Å; H130-S356 PolarHBondContact N-O 3.29Å; G273-S356 VanDerWaalsContact CA-CB 3.42Å; T353-S356 WeakPolarHBondContact O-CB 3.49Å; T353-S356 PolarHBondContact O-N 3.39Å; T353-S356 PolarHBondContact O-OG 2.83Å
357	Y	98.8	Very high	98.7	Very high	57 Å²	57	23.8 Å²	23.8	22%	0.224	12%	0.124	C	C	.	.			trans	-123.3	136.2	175.2	-55.8	-77.2	0	0	0	108.7	N129 V150 Y176 I218 S271 T272	N129-Y357 HydrophobicContact CB-CD1 4.49Å; V150-Y357 HydrophobicContact CG2-CD1 4.15Å; Y176-Y357 HydrophobicContact CD1-CG 4.41Å; Y176-Y357 AromaticContact CE1-CD1 3.63Å; Y176-Y357 HydrophobicContact CE1-CD1 3.63Å; Y176-Y357 AromaticContact CE1-CD2 3.96Å; Y176-Y357 HydrophobicContact CE1-CD2 3.96Å; Y176-Y357 AromaticContact CE1-CE1 3.83Å; Y176-Y357 HydrophobicContact CE1-CE1 3.83Å; Y176-Y357 HydrophobicContact CE1-CE2 4.14Å; Y176-Y357 AromaticContact CE1-CG 3.7Å; Y176-Y357 HydrophobicContact CE1-CG 3.7Å; Y176-Y357 AromaticContact CZ-CD1 3.92Å; Y176-Y357 AromaticContact CZ-CE1 3.79Å; Y176-Y357 WeakPolarHBondContact OH-CE1 3.24Å; I218-Y357 HydrophobicContact CD1-CD2 3.89Å; I218-Y357 HydrophobicContact CG2-CD2 4.07Å; I218-Y357 HydrophobicContact CG2-CE2 3.62Å; S271-Y357 WeakPolarHBondContact CA-O 3.4Å; T272-Y357 PolarHBondContact N-O 2.97Å; T272-Y357 PolarHBondContact OG1-N 3.38Å
358	T	99	Very high	98.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.6	174.4	75.9	0	0	0	0	110.9	N129 A132 V150 K152 I228 G270 D352	N129-T358 PolarHBondContact O-N 2.89Å; N129-T358 PolarHBondContact O-OG1 2.95Å; A132-T358 WeakPolarHBondContact CA-OG1 3.47Å; A132-T358 HydrophobicContact CB-CG2 4.29Å; V150-T358 WeakPolarHBondContact CG1-O 3.37Å; K152-T358 WeakPolarHBondContact CD-O 3.32Å; K152-T358 WeakPolarHBondContact CE-OG1 3.4Å; K152-T358 PolarHBondContact NZ-O 2.72Å; K152-T358 PolarHBondContact NZ-OG1 2.8Å; I228-T358 HydrophobicContact CD1-CG2 3.86Å; G270-T358 CarbonylContact O-C 3.5Å; G270-T358 WeakPolarHBondContact O-CA 3.3Å; D352-T358 HydrophobicContact CB-CG2 4.36Å
359	A	98.9	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	153.9	171.3	0	0	0	0	0	109.8	T169 L179 V180 V183 F269 G270	T169-A359 HydrophobicContact CG2-CB 4.06Å; L179-A359 HydrophobicContact CD2-CB 4.48Å; L179-A359 HydrophobicContact CG-CB 4.08Å; V180-A359 HydrophobicContact CG2-CB 4.1Å; V183-A359 HydrophobicContact CB-CB 4.28Å; V183-A359 HydrophobicContact CG2-CB 3.91Å; F269-A359 VanDerWaalsContact CA-O 3.28Å; F269-A359 WeakPolarHBondContact CA-O 3.17Å; G270-A359 PolarHBondContact N-O 3.45Å; G270-A359 PolarHBondContact O-N 3.21Å
360	Q	98.9	Very high	98.6	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143.4	178.6	-176.2	-168.5	10	0	0	110.4	K152 D154 A167 T169 E267 T268 F269 E362	K152-Q360 HydrophobicContact CB-CB 4.3Å; K152-Q360 HydrophobicContact CG-CB 3.52Å; D154-Q360 PolarHBondContact OD2-NE2 2.75Å; A167-Q360 HydrophobicContact CB-CG 4.19Å; T169-Q360 PolarHBondContact N-O 2.57Å; T169-Q360 PolarHBondContact OG1-N 3.48Å; T169-Q360 PolarHBondContact OG1-O 3.23Å; E267-Q360 PolarHBondContact OE2-NE2 3.26Å; T268-Q360 WeakPolarHBondContact O-CA 3.4Å; F269-Q360 HydrophobicContact CD1-CB 3.73Å; F269-Q360 HydrophobicContact CD1-CG 3.81Å; F269-Q360 HydrophobicContact CE1-CB 3.7Å; F269-Q360 HydrophobicContact CE1-CG 3.37Å; F269-Q360 HydrophobicContact CE2-CG 4.42Å; F269-Q360 HydrophobicContact CZ-CG 3.72Å; Q360-E362 PolarHBondContact NE2-OE2 3.03Å
361	W	98.9	Very high	98.6	Very high	21 Å²	21	21.5 Å²	21.5	8%	0.08	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	144.7	162.1	-71.4	95	0	0	0	109.3	F168 V180 K184 T187 E267 T268 Y381	F168-W361 HydrophobicContact CB-CE3 3.71Å; F168-W361 HydrophobicContact CB-CH2 4.02Å; F168-W361 HydrophobicContact CB-CZ3 3.32Å; V180-W361 HydrophobicContact CG1-CZ2 3.57Å; V180-W361 PolarHBondContact O-NE1 3Å; K184-W361 HydrophobicContact CB-CD2 4.19Å; K184-W361 HydrophobicContact CB-CG 4.03Å; K184-W361 HydrophobicContact CB-CZ2 4.5Å; K184-W361 HydrophobicContact CD-CD2 4.42Å; K184-W361 HydrophobicContact CD-CH2 4.36Å; K184-W361 HydrophobicContact CD-CZ2 4Å; K184-W361 HydrophobicContact CG-CD2 4.1Å; K184-W361 HydrophobicContact CG-CG 4.24Å; K184-W361 HydrophobicContact CG-CZ2 4.47Å; T187-W361 HydrophobicContact CG2-CB 4.15Å; T187-W361 WeakPolarHBondContact CG2-O 3.36Å; T187-W361 PolarHBondContact OG1-O 3.22Å; E267-W361 WeakPolarHBondContact CA-O 3.41Å; T268-W361 PolarHBondContact N-O 2.84Å; T268-W361 PolarHBondContact O-N 3.01Å; W361-Y381 HydrophobicContact CE3-CD1 4.26Å; W361-Y381 AromaticContact CE3-CD2 3.43Å; W361-Y381 HydrophobicContact CE3-CD2 3.43Å; W361-Y381 VanDerWaalsContact CE3-CD2 3.43Å; W361-Y381 HydrophobicContact CE3-CE2 4.03Å; W361-Y381 AromaticContact CE3-CG 3.58Å; W361-Y381 HydrophobicContact CE3-CG 3.58Å; W361-Y381 HydrophobicContact CH2-CG 4.32Å; W361-Y381 AromaticContact CZ3-CD1 3.58Å; W361-Y381 HydrophobicContact CZ3-CD1 3.58Å; W361-Y381 AromaticContact CZ3-CD2 3.61Å; W361-Y381 HydrophobicContact CZ3-CD2 3.61Å; W361-Y381 HydrophobicContact CZ3-CE1 4.23Å; W361-Y381 HydrophobicContact CZ3-CE2 4.29Å; W361-Y381 AromaticContact CZ3-CG 3.22Å; W361-Y381 HydrophobicContact CZ3-CG 3.22Å
362	E	99	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	141.7	-175.9	178.7	176	-167.7	0	0	114.2	D165 S166 A167 A265 I266 E267 Q360 Y381	D165-E362 WeakPolarHBondContact CB-OE1 3.15Å; S166-E362 WeakPolarHBondContact CA-O 3Å; S166-E362 WeakPolarHBondContact CB-O 3.02Å; S166-E362 PolarHBondContact OG-O 3.02Å; A167-E362 HydrophobicContact CB-CB 3.92Å; A167-E362 PolarHBondContact N-O 3.39Å; A167-E362 PolarHBondContact O-N 2.9Å; A167-E362 VanDerWaalsContact O-N 3.09Å; A265-E362 WeakPolarHBondContact CB-OE1 3.4Å; I266-E362 VanDerWaalsContact O-CA 3.3Å; I266-E362 WeakPolarHBondContact O-CA 3.3Å; E267-E362 HydrophobicContact CB-CB 3.68Å; E267-E362 HydrophobicContact CB-CG 3.65Å; E267-E362 HydrophobicContact CG-CG 4.48Å; Q360-E362 PolarHBondContact NE2-OE2 3.03Å; E362-Y381 WeakPolarHBondContact O-CE2 3.26Å
363	H	99	Very high	98.6	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.009	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.2	165	-75.9	-66.2	0	0	0	112.9	I191 I266 V374 S376 R377 Y381	I191-H363 HydrophobicContact CD1-CB 3.79Å; I266-H363 PolarHBondContact N-O 3.12Å; I266-H363 PolarHBondContact O-N 3.25Å; I266-H363 VanDerWaalsContact O-N 3.08Å; H363-V374 HydrophobicContact CB-CG1 3.77Å; H363-S376 VanDerWaalsContact CA-OG 3.29Å; H363-S376 WeakPolarHBondContact CA-OG 3.26Å; H363-S376 VanDerWaalsContact CB-OG 3.28Å; H363-S376 WeakPolarHBondContact CB-OG 3.46Å; H363-S376 PolarHBondContact CE1-O 2.88Å; H363-S376 PolarHBondContact ND1-O 3.19Å; H363-S376 PolarHBondContact ND1-OG 3.28Å; H363-R377 PolarHBondContact CD2-NH1 3.39Å; H363-R377 PolarHBondContact NE2-NH1 3.21Å; H363-Y381 AromaticContact CE1-CD2 3.32Å; H363-Y381 WeakPolarHBondContact CE1-CD2 3.3Å; H363-Y381 AromaticContact CE1-CE2 3.34Å; H363-Y381 WeakPolarHBondContact CE1-CE2 3.31Å; H363-Y381 PolarHBondContact CE1-O 3.42Å; H363-Y381 VanDerWaalsContact CE1-O 3.27Å; H363-Y381 AromaticContact NE2-CD2 3.14Å; H363-Y381 WeakPolarHBondContact NE2-CD2 3.49Å; H363-Y381 AromaticContact NE2-CE2 3.58Å; H363-Y381 PolarHBondContact NE2-O 3.07Å; H363-Y381 PolarHBondContact NE2-OXT 3.3Å
364	T	99	Very high	98.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	131	157.6	-59.4	0	0	0	0	110.8	I164 D165 I236 V263 F264 V375 S376	I164-T364 HydrophobicContact CD1-CG2 4Å; D165-T364 PolarHBondContact N-OG1 2.98Å; D165-T364 PolarHBondContact O-N 3.48Å; D165-T364 PolarHBondContact O-OG1 2.74Å; I236-T364 HydrophobicContact CD1-CG2 4.18Å; V263-T364 HydrophobicContact CG1-CG2 3.61Å; F264-T364 CarbonylContact O-C 3.53Å; F264-T364 VanDerWaalsContact O-CA 3.29Å; F264-T364 WeakPolarHBondContact O-CA 3.34Å; T364-V375 HydrophobicContact CG2-CG1 3.87Å; T364-V375 WeakPolarHBondContact O-CG1 3.47Å; T364-V375 PolarHBondContact O-N 3.29Å; T364-S376 PolarHBondContact N-OG 3.29Å; T364-S376 PolarHBondContact O-OG 3.45Å
365	I	98.9	Very high	98.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.2	171.9	69.2	172.6	0	0	0	111.3	I191 A194 V263 F264 I266 L367 K372 E373 V374	I191-I365 HydrophobicContact CG1-CG2 4.41Å; I191-I365 HydrophobicContact CG2-CG2 4.27Å; A194-I365 HydrophobicContact CB-CD1 3.55Å; V263-I365 WeakPolarHBondContact CA-O 3.44Å; F264-I365 HydrophobicContact CB-CD1 4.34Å; F264-I365 HydrophobicContact CB-CG1 3.9Å; F264-I365 PolarHBondContact N-O 3.05Å; F264-I365 PolarHBondContact O-N 2.55Å; I266-I365 HydrophobicContact CD1-CD1 4.02Å; I266-I365 HydrophobicContact CG1-CD1 3.7Å; I266-I365 HydrophobicContact CG1-CG1 4.01Å; I266-I365 HydrophobicContact CG1-CG2 4.27Å; I365-L367 HydrophobicContact CD1-CD2 3.82Å; I365-L367 HydrophobicContact CG1-CD2 4.27Å; I365-K372 HydrophobicContact CD1-CD 4.28Å; I365-E373 CarbonylContact C-O 3.44Å; I365-E373 WeakPolarHBondContact CA-O 3.4Å; I365-V374 HydrophobicContact CG2-CB 4.35Å; I365-V374 HydrophobicContact CG2-CG1 4.1Å; I365-V374 HydrophobicContact CG2-CG2 4.17Å
366	L	98.9	Very high	98.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.2	174.3	-45.9	176.4	0	0	0	108.9	W69 F72 V263 R368 K372 E373 V375	W69-L366 HydrophobicContact CD2-CD1 4.44Å; W69-L366 HydrophobicContact CE3-CD1 3.87Å; W69-L366 HydrophobicContact CE3-CD2 4.4Å; W69-L366 HydrophobicContact CZ3-CB 4.45Å; W69-L366 HydrophobicContact CZ3-CD1 4.48Å; W69-L366 HydrophobicContact CZ3-CD2 4.33Å; F72-L366 HydrophobicContact CB-CD1 4.19Å; F72-L366 HydrophobicContact CB-CD2 4.23Å; F72-L366 HydrophobicContact CD1-CD2 4.05Å; F72-L366 HydrophobicContact CD2-CD2 3.82Å; F72-L366 HydrophobicContact CE1-CD2 4.34Å; F72-L366 HydrophobicContact CE2-CD2 4.12Å; F72-L366 HydrophobicContact CG-CD2 3.79Å; F72-L366 HydrophobicContact CZ-CD2 4.38Å; V263-L366 HydrophobicContact CB-CD2 4.44Å; V263-L366 HydrophobicContact CG1-CD2 3.9Å; V263-L366 HydrophobicContact CG2-CD2 3.77Å; L366-R368 VanDerWaalsContact C-N 3.28Å; L366-R368 HydrophobicContact CB-CG 3.97Å; L366-R368 PolarHBondContact O-N 2.79Å; L366-R368 VanDerWaalsContact O-N 3.14Å; L366-K372 WeakPolarHBondContact O-CA 3.31Å; L366-E373 HydrophobicContact CB-CB 4.27Å; L366-E373 HydrophobicContact CD1-CB 4.45Å; L366-E373 PolarHBondContact N-O 3.41Å; L366-E373 PolarHBondContact O-N 2.81Å; L366-V375 HydrophobicContact CD1-CB 3.85Å; L366-V375 HydrophobicContact CD1-CG1 4.19Å; L366-V375 HydrophobicContact CD1-CG2 4.03Å; L366-V375 HydrophobicContact CD2-CG1 4Å; L366-V375 HydrophobicContact CG-CB 3.92Å; L366-V375 HydrophobicContact CG-CG1 3.83Å
367	L	98.6	Very high	98.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	67.8	175.5	-54.5	-168.6	0	0	0	110.1	Y44 I196 M258 N261 D262 F264 I365 K372	Y44-L367 HydrophobicContact CE1-CD2 4.28Å; Y44-L367 WeakPolarHBondContact OH-CA 3.29Å; I196-L367 HydrophobicContact CG1-CB 4.18Å; M258-L367 HydrophobicContact CB-CD1 3.65Å; M258-L367 HydrophobicContact CG-CD1 4.25Å; M258-L367 HydrophobicContact SD-CD1 4Å; N261-L367 WeakPolarHBondContact CA-O 3.41Å; N261-L367 PolarHBondContact N-O 3.48Å; D262-L367 HydrophobicContact CB-CD1 4.19Å; D262-L367 WeakPolarHBondContact O-CB 3.42Å; D262-L367 PolarHBondContact O-N 3.21Å; F264-L367 HydrophobicContact CD2-CD1 4.05Å; F264-L367 HydrophobicContact CD2-CG 4.46Å; F264-L367 HydrophobicContact CE2-CD1 4.04Å; I365-L367 HydrophobicContact CD1-CD2 3.82Å; I365-L367 HydrophobicContact CG1-CD2 4.27Å; L367-K372 HydrophobicContact CD2-CD 4.33Å; L367-K372 HydrophobicContact CD2-CG 4.16Å
368	R	98.6	Very high	98.7	Very high	25 Å²	25	7.4 Å²	7.4	9%	0.094	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	154.3	-175.9	-64.7	170.8	51.3	-153.8	-11	111.5	Y44 D62 W69 L366 T370 C371 E373	Y44-R368 PolarHBondContact OH-N 3.29Å; Y44-R368 PolarHBondContact OH-O 2.63Å; D62-R368 IonicContact OD1-CZ 3.83Å; D62-R368 IonicContact OD1-NE 3.02Å; D62-R368 PolarHBondContact OD1-NE 3.47Å; D62-R368 IonicContact OD1-NH2 2.63Å; D62-R368 PolarHBondContact OD1-NH2 2.88Å; D62-R368 IonicContact OD2-CZ 3.5Å; D62-R368 IonicContact OD2-NE 3.63Å; D62-R368 PolarHBondContact OD2-NE 2.82Å; D62-R368 IonicContact OD2-NH2 2.78Å; D62-R368 PolarHBondContact OD2-NH2 2.95Å; W69-R368 HydrophobicContact CD2-CG 4.13Å; W69-R368 HydrophobicContact CH2-CG 4.48Å; W69-R368 HydrophobicContact CZ2-CG 3.94Å; L366-R368 VanDerWaalsContact C-N 3.28Å; L366-R368 HydrophobicContact CB-CG 3.97Å; L366-R368 PolarHBondContact O-N 2.79Å; L366-R368 VanDerWaalsContact O-N 3.14Å; R368-T370 PolarHBondContact O-N 2.81Å; R368-C371 CarbonylContact C-O 3.52Å; R368-C371 WeakPolarHBondContact CA-O 3.41Å; R368-C371 VanDerWaalsContact CB-O 3.29Å; R368-C371 WeakPolarHBondContact CB-O 3.43Å; R368-C371 PolarHBondContact N-O 2.78Å; R368-C371 PolarHBondContact O-N 3.17Å; R368-E373 VanDerWaalsContact CD-OE2 3.27Å; R368-E373 WeakPolarHBondContact CD-OE2 3.41Å; R368-E373 IonicContact CZ-OE2 3.77Å; R368-E373 IonicContact NE-OE2 3.39Å; R368-E373 IonicContact NH1-OE2 3.65Å; R368-E373 PolarHBondContact NH1-OE2 2.88Å
369	P	98.2	Very high	98.6	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.013	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.2	-179	-26.8	35.2	0	0	0	114.9	A53 K58 L61 D62 E260 N261	A53-P369 WeakPolarHBondContact CA-O 3.39Å; A53-P369 WeakPolarHBondContact CB-O 3.44Å; K58-P369 HydrophobicContact CB-CB 4.32Å; K58-P369 HydrophobicContact CD-CB 3.98Å; L61-P369 HydrophobicContact CB-CB 4.34Å; L61-P369 HydrophobicContact CB-CG 4.24Å; L61-P369 HydrophobicContact CD2-CB 4.18Å; L61-P369 HydrophobicContact CD2-CG 3.95Å; L61-P369 HydrophobicContact CG-CB 4.36Å; L61-P369 HydrophobicContact CG-CG 3.87Å; D62-P369 HydrophobicContact CB-CB 4.1Å; D62-P369 HydrophobicContact CB-CG 4.05Å; E260-P369 HydrophobicContact CG-CB 4.31Å; E260-P369 HydrophobicContact CG-CG 4.06Å; E260-P369 VanDerWaalsContact OE2-CA 3.3Å; E260-P369 WeakPolarHBondContact OE2-CA 3.19Å; E260-P369 WeakPolarHBondContact OE2-CB 3.41Å; N261-P369 VanDerWaalsContact OD1-CD 3.3Å; N261-P369 WeakPolarHBondContact OD1-CD 3.42Å; N261-P369 WeakPolarHBondContact OD1-CG 3.38Å
370	T	98	Very high	98.5	Very high	36 Å²	36	18.5 Å²	18.5	22%	0.221	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-19.6	-178	66.6	0	0	0	0	114.8	K59 D62 R368	K59-T370 HydrophobicContact CG-CG2 4.1Å; D62-T370 HydrophobicContact CB-CG2 3.8Å; D62-T370 WeakPolarHBondContact OD2-CB 3.37Å; D62-T370 WeakPolarHBondContact OD2-CG2 3.38Å; D62-T370 PolarHBondContact OD2-OG1 2.85Å; R368-T370 PolarHBondContact O-N 2.81Å
371	C	98.1	Very high	98.5	Very high	8 Å²	8	19.1 Å²	19.1	5%	0.054	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	167	-172	57.3	0	0	0	0	111.8	V41 Y44 R368	V41-C371 HydrophobicContact CG1-CB 3.69Å; Y44-C371 VanDerWaalsContact CZ-C 3.46Å; Y44-C371 PolarHBondContact OH-O 2.9Å; R368-C371 CarbonylContact C-O 3.52Å; R368-C371 WeakPolarHBondContact CA-O 3.41Å; R368-C371 VanDerWaalsContact CB-O 3.29Å; R368-C371 WeakPolarHBondContact CB-O 3.43Å; R368-C371 PolarHBondContact N-O 2.78Å; R368-C371 PolarHBondContact O-N 3.17Å
372	K	98.6	Very high	98.5	Very high	4 Å²	4	19 Å²	19	2%	0.017	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.4	163.2	176.3	173.2	57.9	-173.4	0	108.5	C42 Y44 I191 K192 A194 I365 L366 L367	C42-K372 HydrophobicContact CB-CB 4.4Å; C42-K372 PolarHBondContact N-O 3.19Å; C42-K372 PolarHBondContact O-N 3.41Å; Y44-K372 HydrophobicContact CD1-CB 4.14Å; Y44-K372 HydrophobicContact CE1-CB 3.8Å; I191-K372 WeakPolarHBondContact O-CE 3.49Å; I191-K372 PolarHBondContact O-NZ 3.01Å; K192-K372 PolarHBondContact O-NZ 2.74Å; A194-K372 WeakPolarHBondContact O-CD 3.34Å; A194-K372 WeakPolarHBondContact O-CE 3.34Å; A194-K372 PolarHBondContact O-NZ 3.18Å; I365-K372 HydrophobicContact CD1-CD 4.28Å; L366-K372 WeakPolarHBondContact O-CA 3.31Å; L367-K372 HydrophobicContact CD2-CD 4.33Å; L367-K372 HydrophobicContact CD2-CG 4.16Å
373	E	98.8	Very high	98.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.9	175.9	-176.4	177.7	164	0	0	109.8	G39 E40 V41 R73 I365 L366 R368 V375	G39-E373 PolarHBondContact N-OE1 3.14Å; E40-E373 CarbonylContact O-C 3.6Å; E40-E373 WeakPolarHBondContact O-CA 3.25Å; V41-E373 HydrophobicContact CG2-CG 4.46Å; R73-E373 IonicContact CZ-OE1 3.11Å; R73-E373 IonicContact CZ-OE2 2.74Å; R73-E373 IonicContact NE-OE1 3.72Å; R73-E373 PolarHBondContact NE-OE1 3.39Å; R73-E373 IonicContact NE-OE2 2.98Å; R73-E373 PolarHBondContact NE-OE2 3.23Å; R73-E373 IonicContact NH2-OE1 3.41Å; R73-E373 IonicContact NH2-OE2 3.29Å; R73-E373 PolarHBondContact NH2-OE2 3.37Å; I365-E373 CarbonylContact C-O 3.44Å; I365-E373 WeakPolarHBondContact CA-O 3.4Å; L366-E373 HydrophobicContact CB-CB 4.27Å; L366-E373 HydrophobicContact CD1-CB 4.45Å; L366-E373 PolarHBondContact N-O 3.41Å; L366-E373 PolarHBondContact O-N 2.81Å; R368-E373 VanDerWaalsContact CD-OE2 3.27Å; R368-E373 WeakPolarHBondContact CD-OE2 3.41Å; R368-E373 IonicContact CZ-OE2 3.77Å; R368-E373 IonicContact NE-OE2 3.39Å; R368-E373 IonicContact NH1-OE2 3.65Å; R368-E373 PolarHBondContact NH1-OE2 2.88Å; E373-V375 HydrophobicContact CG-CB 4.23Å; E373-V375 PolarHBondContact O-N 2.89Å
374	V	98.9	Very high	98.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	74.2	169.6	-166.4	0	0	0	0	107.6	G39 E40 I191 H363 I365 S376 R377	G39-V374 WeakPolarHBondContact CA-O 3.22Å; E40-V374 HydrophobicContact CB-CB 4.17Å; E40-V374 HydrophobicContact CB-CG2 4.49Å; E40-V374 PolarHBondContact N-O 3.06Å; E40-V374 PolarHBondContact O-N 3.16Å; I191-V374 HydrophobicContact CD1-CG1 4.42Å; I191-V374 HydrophobicContact CG2-CG1 4.33Å; I191-V374 HydrophobicContact CG2-CG2 3.54Å; H363-V374 HydrophobicContact CB-CG1 3.77Å; I365-V374 HydrophobicContact CG2-CB 4.35Å; I365-V374 HydrophobicContact CG2-CG1 4.1Å; I365-V374 HydrophobicContact CG2-CG2 4.17Å; V374-S376 PolarHBondContact O-N 3.35Å; V374-S376 VanDerWaalsContact O-N 3.11Å; V374-R377 HydrophobicContact CB-CB 4.1Å; V374-R377 HydrophobicContact CG1-CB 3.91Å; V374-R377 VanDerWaalsContact O-CB 3.24Å; V374-R377 WeakPolarHBondContact O-CB 3.28Å; V374-R377 PolarHBondContact O-N 3.34Å
375	V	98.9	Very high	98.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.1	-165.7	64.7	0	0	0	0	113.1	F72 R73 A76 R80 I164 T364 L366 E373	F72-V375 HydrophobicContact CB-CG2 4.18Å; R73-V375 HydrophobicContact CG-CG2 3.86Å; A76-V375 HydrophobicContact CB-CG2 3.96Å; A76-V375 WeakPolarHBondContact CB-O 3.36Å; R80-V375 PolarHBondContact NH1-O 3.48Å; I164-V375 HydrophobicContact CD1-CG1 3.47Å; I164-V375 VanDerWaalsContact CD1-CG1 3.47Å; I164-V375 HydrophobicContact CD1-CG2 4.44Å; T364-V375 HydrophobicContact CG2-CG1 3.87Å; T364-V375 WeakPolarHBondContact O-CG1 3.47Å; T364-V375 PolarHBondContact O-N 3.29Å; L366-V375 HydrophobicContact CD1-CB 3.85Å; L366-V375 HydrophobicContact CD1-CG1 4.19Å; L366-V375 HydrophobicContact CD1-CG2 4.03Å; L366-V375 HydrophobicContact CD2-CG1 4Å; L366-V375 HydrophobicContact CG-CB 3.92Å; L366-V375 HydrophobicContact CG-CG1 3.83Å; E373-V375 HydrophobicContact CG-CB 4.23Å; E373-V375 PolarHBondContact O-N 2.89Å
376	S	98.9	Very high	98.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.9	179.5	61.1	0	0	0	0	114.7	R83 H363 T364 V374	R83-S376 PolarHBondContact NH1-O 3.45Å; R83-S376 PolarHBondContact NH2-O 3.46Å; R83-S376 VanDerWaalsContact NH2-O 3.11Å; H363-S376 VanDerWaalsContact CA-OG 3.29Å; H363-S376 WeakPolarHBondContact CA-OG 3.26Å; H363-S376 VanDerWaalsContact CB-OG 3.28Å; H363-S376 WeakPolarHBondContact CB-OG 3.46Å; H363-S376 PolarHBondContact CE1-O 2.88Å; H363-S376 PolarHBondContact ND1-O 3.19Å; H363-S376 PolarHBondContact ND1-OG 3.28Å; T364-S376 PolarHBondContact N-OG 3.29Å; T364-S376 PolarHBondContact O-OG 3.45Å; V374-S376 PolarHBondContact O-N 3.35Å; V374-S376 VanDerWaalsContact O-N 3.11Å
377	R	98.8	Very high	98.3	Very high	38 Å²	38	25.2 Å²	25.2	14%	0.143	14%	0.135	C	C	.	.			trans	-59.2	143.3	175.1	-171.2	70.8	78.6	-166.6	0.3	110.5	E40 R80 N188 H363 V374 Y381	E40-R377 HydrophobicContact CB-CB 3.92Å; E40-R377 HydrophobicContact CB-CG 3.93Å; E40-R377 IonicContact OE2-CZ 3.74Å; E40-R377 IonicContact OE2-NE 3.47Å; E40-R377 PolarHBondContact OE2-NE 3.1Å; E40-R377 IonicContact OE2-NH2 3.23Å; R80-R377 WeakPolarHBondContact CD-O 3.35Å; R80-R377 PolarHBondContact NH1-O 3.04Å; R80-R377 VanDerWaalsContact NH1-O 3.08Å; N188-R377 VanDerWaalsContact OD1-CZ 3.31Å; N188-R377 PolarHBondContact OD1-NH1 3.27Å; N188-R377 PolarHBondContact OD1-NH2 3.39Å; H363-R377 PolarHBondContact CD2-NH1 3.39Å; H363-R377 PolarHBondContact NE2-NH1 3.21Å; V374-R377 HydrophobicContact CB-CB 4.1Å; V374-R377 HydrophobicContact CG1-CB 3.91Å; V374-R377 VanDerWaalsContact O-CB 3.24Å; V374-R377 WeakPolarHBondContact O-CB 3.28Å; V374-R377 PolarHBondContact O-N 3.34Å; R377-Y381 WeakPolarHBondContact CD-O 3.32Å; R377-Y381 WeakPolarHBondContact CD-OXT 3.36Å; R377-Y381 PolarHBondContact NH1-OXT 3.46Å
378	G	97.9	Very high	98.3	Very high	18 Å²	18	27 Å²	27	19%	0.186	15%	0.145	C	C	.	.			trans	-143.8	-176.6	170.8	0	0	0	0	0	111.5	R83 D380 Y381	R83-G378 VanDerWaalsContact NH2-N 3.14Å; G378-D380 PolarHBondContact O-N 2.93Å; G378-D380 VanDerWaalsContact O-N 3.12Å; G378-Y381 PolarHBondContact N-O 3.34Å
379	D	96.9	Very high	98.3	Very high	187 Å²	187	27.2 Å²	27.2	100%	1	15%	0.149	S	C	*	.	S	Bend	trans	-66.8	-12.4	-179.8	-63.9	-21.8	0	0	0	113.4
380	D	97.3	Very high	98.3	Very high	47 Å²	47	29.3 Å²	29.3	25%	0.251	16%	0.16	S	C	.	.			trans	-95.5	-38.6	-174.1	61.6	-33	0	0	0	114	R83 K87 K184 G378	R83-D380 IonicContact CZ-OD1 3.81Å; R83-D380 IonicContact CZ-OD2 3.15Å; R83-D380 IonicContact NE-OD1 2.69Å; R83-D380 PolarHBondContact NE-OD1 3.38Å; R83-D380 VanDerWaalsContact NE-OD1 3.11Å; R83-D380 IonicContact NE-OD2 2.75Å; R83-D380 PolarHBondContact NE-OD2 3.13Å; R83-D380 IonicContact NH2-OD1 2.79Å; R83-D380 PolarHBondContact NH2-OD1 2.99Å; K87-D380 IonicContact NZ-OD2 3.24Å; K87-D380 PolarHBondContact NZ-OD2 2.96Å; K184-D380 PolarHBondContact NZ-O 2.68Å; G378-D380 PolarHBondContact O-N 2.93Å; G378-D380 VanDerWaalsContact O-N 3.12Å
381	Y	98.3	Very high	98.3	Very high	13 Å²	13	28.6 Å²	28.6	5%	0.051	16%	0.155	C	C	.	.			trans	-157.5	0	172	65.4	-81.6	0	0	0	112.9	R83 S166 A167 F168 W361 E362 H363 R377 G378	R83-Y381 VanDerWaalsContact CZ-CE1 3.42Å; R83-Y381 PolarHBondContact NH1-OH 3.14Å; S166-Y381 PolarHBondContact OG-OH 3.37Å; A167-Y381 WeakPolarHBondContact O-CE2 3.34Å; F168-Y381 HydrophobicContact CB-CD1 4.26Å; F168-Y381 HydrophobicContact CB-CE1 3.82Å; F168-Y381 HydrophobicContact CD1-CE1 4.04Å; F168-Y381 HydrophobicContact CG-CE1 4.14Å; W361-Y381 HydrophobicContact CE3-CD1 4.26Å; W361-Y381 AromaticContact CE3-CD2 3.43Å; W361-Y381 HydrophobicContact CE3-CD2 3.43Å; W361-Y381 VanDerWaalsContact CE3-CD2 3.43Å; W361-Y381 HydrophobicContact CE3-CE2 4.03Å; W361-Y381 AromaticContact CE3-CG 3.58Å; W361-Y381 HydrophobicContact CE3-CG 3.58Å; W361-Y381 HydrophobicContact CH2-CG 4.32Å; W361-Y381 AromaticContact CZ3-CD1 3.58Å; W361-Y381 HydrophobicContact CZ3-CD1 3.58Å; W361-Y381 AromaticContact CZ3-CD2 3.61Å; W361-Y381 HydrophobicContact CZ3-CD2 3.61Å; W361-Y381 HydrophobicContact CZ3-CE1 4.23Å; W361-Y381 HydrophobicContact CZ3-CE2 4.29Å; W361-Y381 AromaticContact CZ3-CG 3.22Å; W361-Y381 HydrophobicContact CZ3-CG 3.22Å; E362-Y381 WeakPolarHBondContact O-CE2 3.26Å; H363-Y381 AromaticContact CE1-CD2 3.32Å; H363-Y381 WeakPolarHBondContact CE1-CD2 3.3Å; H363-Y381 AromaticContact CE1-CE2 3.34Å; H363-Y381 WeakPolarHBondContact CE1-CE2 3.31Å; H363-Y381 PolarHBondContact CE1-O 3.42Å; H363-Y381 VanDerWaalsContact CE1-O 3.27Å; H363-Y381 AromaticContact NE2-CD2 3.14Å; H363-Y381 WeakPolarHBondContact NE2-CD2 3.49Å; H363-Y381 AromaticContact NE2-CE2 3.58Å; H363-Y381 PolarHBondContact NE2-O 3.07Å; H363-Y381 PolarHBondContact NE2-OXT 3.3Å; R377-Y381 WeakPolarHBondContact CD-O 3.32Å; R377-Y381 WeakPolarHBondContact CD-OXT 3.36Å; R377-Y381 PolarHBondContact NH1-OXT 3.46Å; G378-Y381 PolarHBondContact N-O 3.34Å

Retrieved 381 of 381 residues in 399.7 ms (Link to these results)

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